SCHEMBL15979324

SCHEMBL15979324

CCCC(C)(CC)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.46
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KCNA5 P22460 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KIF11 P52732 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21369405 0.93 CYP19A1 (0.49) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL19728957 0.90 TDP1 (0.45) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL13194995 0.89 CYP19A1 (0.52) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL18671414 0.88 CNR1 (0.48) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL18479712 0.87 CNR1 (0.50) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL22024917 0.86 TDP1 (0.45) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL23665185 0.85 CNR1 (0.48) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL18852714 0.83 CNR1 (0.50) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL21419383 0.82 TDP1 (0.47) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL18427184 0.81 CYP19A1 (0.49) CYP19A1TDP1LMNACYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-15 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230062815-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 US disclosed
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-12 US disclosed
US-20220401430-A1 ALLOSTERIC MODULATORS OF THE MU OPIOID RECEPTOR Chiromics, LLC 2022-12-22 US disclosed
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof XIAMEN UNIVERSITY (CN) 2022-06-07 US disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 US disclosed
US-20190194136-A1 QUINOLINE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF UNIV NEW YORK (US) 2019-06-27 US disclosed
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-29 US disclosed
US-9919064-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2018-03-20 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-9713651-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-07-25 US disclosed
US-20170202984-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-07-20 US disclosed
US-20170151353-A9 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-06-01 US disclosed
US-9555138-B2 2017-01-31 US disclosed
US-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-08-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230062815-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CYP19A1 2422/4885TDP1 1532/4885LMNA 1699/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 CYP19A1 3074/4885TDP1 2831/4885LMNA 4383/4885
US-20170151353-A9 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS TNNI3, FABP3, TNNT2 CYP19A1 3523/4885TDP1 1575/4885LMNA 1473/4885
US-20220401430-A1 ALLOSTERIC MODULATORS OF THE MU OPIOID RECEPTOR OPRM1, OPRK1, OPRD1 CYP19A1 2873/4885TDP1 3598/4885LMNA 4854/4885
US-10407424-B2 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 CYP19A1 3624/4885TDP1 1150/4885LMNA 2129/4885
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS CYP19A1 1126/4885TDP1 4244/4885LMNA 2254/4885
US-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, CACNA1E, SLC8B1 CYP19A1 3222/4885TDP1 3058/4885LMNA 2019/4885
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CYP19A1 2444/4885TDP1 1513/4885LMNA 1651/4885
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CYP19A1 2625/4885TDP1 1146/4885LMNA 2052/4885
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 CYP19A1 2422/4885TDP1 1532/4885LMNA 1699/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC CYP19A1 4510/4885TDP1 4667/4885LMNA 4670/4885
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB CYP19A1 20/4885TDP1 2934/4885LMNA 4325/4885
US-20190194136-A1 QUINOLINE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF AGER, HMGB1, GPR119 CYP19A1 1092/4885TDP1 1686/4885LMNA 793/4885
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A CYP19A1 2879/4885TDP1 1069/4885LMNA 3498/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 CYP19A1 2584/4885TDP1 725/4885LMNA 3212/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC CYP19A1 4510/4885TDP1 4667/4885LMNA 4670/4885
US-20170202984-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 CYP19A1 2722/4885TDP1 777/4885LMNA 1449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.