SCHEMBL2697302

SCHEMBL2697302

CC(C)(C)Cn1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.50
CYP11B2 P19099 5/20 0.50
FDPS P14324 2/20 0.50
GGPS1 O95749 3/20 0.48
BTN3A1 O00481 1/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP14 P50281 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TBXAS1 P24557 4/20 0.48
CYP2B6 P20813 1/20 0.44
ALDH1A1 P00352 1/20 0.43
IDH1 O75874 2/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL4682917 0.82 FDPS (0.52) CYP11B1CYP11B2FDPSGGPS1BTN3A1
SCHEMBL4241305 0.82 FDPS (0.56) CYP11B1CYP11B2FDPSGGPS1BTN3A1
SCHEMBL13105208 0.80 CYP11B1 (0.53) CYP11B1CYP11B2FDPSGGPS1BTN3A1
SCHEMBL19200881 0.79 FDPS (0.49) CYP11B1CYP11B2FDPSGGPS1BTN3A1
SCHEMBL20798128 0.79 CYP11B1 (0.44) CYP11B1CYP11B2FDPSGGPS1BTN3A1
SCHEMBL9368910 0.79 CYP11B1 (0.44) CYP11B1CYP11B2FDPSGGPS1BTN3A1
SCHEMBL767633 0.77 TBXAS1 (0.56) CYP11B1CYP11B2FDPSTBXAS1IDH1
SCHEMBL24335704 0.77 TBXAS1 (0.47) CYP11B1CYP11B2FDPSGGPS1BTN3A1
SCHEMBL4968502 0.77 FDPS (0.51) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL19199728 0.77 FDPS (0.47) CYP11B1CYP11B2FDPSGGPS1BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2023-12-12 US disclosed
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2023-12-12 US disclosed
US-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. 2023-11-16 US disclosed
US-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. 2023-11-16 US disclosed
US-11767301-B2 Bi-functional molecules to degrade circulating proteins YALE UNIVERSITY (US) 2023-09-26 US disclosed
US-20230183213-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES, INC. 2023-06-15 US disclosed
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-04-07 US disclosed
US-20220000980-A1 Compositions and Methods for use of CXCL12 in Treatment of Bone Disorders UNIV NEW YORK (US) 2022-01-06 US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-08 US disclosed
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX TRANZYME PHARMA INC. 2008-11-20 US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 US disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 US disclosed
US-20070096106-A1 Semiconductor display device and method of manufacturing the same YAMAZAKI SHUNPEI 2007-05-03 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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 (13 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-11767301-B2 Bi-functional molecules to degrade circulating proteins MIF, ASGR1, FCGR2A CYP11B1 1646/4885CYP11B2 1893/4885FDPS 2297/4885
US-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER CDC7, BUB1B, CDK7 CYP11B1 3476/4885CYP11B2 3838/4885FDPS 1764/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR CYP11B1 309/4885CYP11B2 386/4885FDPS 4040/4885
US-20230183213-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV HCCS, HAVCR2, MAVS CYP11B1 1644/4885CYP11B2 1999/4885FDPS 1293/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH CYP11B1 367/4885CYP11B2 340/4885FDPS 4253/4885
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 CYP11B1 970/4885CYP11B2 879/4885FDPS 53/4885
US-20220000980-A1 Compositions and Methods for use of CXCL12 in Treatment of Bone Disorders CXCL12, CXCR4, SDF4 CYP11B1 2570/4885CYP11B2 2896/4885FDPS 3348/4885
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF CYP3A4, SHH, GLI1 CYP11B1 61/4885CYP11B2 72/4885FDPS 1333/4885
US-20080113978-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 CYP11B1 168/4885CYP11B2 173/4885FDPS 2320/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR CYP11B1 1205/4885CYP11B2 726/4885FDPS 2802/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 CYP11B1 3684/4885CYP11B2 3093/4885FDPS 1055/4885
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 CYP11B1 970/4885CYP11B2 879/4885FDPS 53/4885
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX MLNR, CCKAR, CCKBR CYP11B1 1936/4885CYP11B2 1924/4885FDPS 1289/4885

“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.