SCHEMBL803414

SCHEMBL803414

CC(C)(C)c1ccnc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYC P01106 1/20 0.39
KIF11 P52732 3/20 0.38
XDH P47989 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CTSK P43235 4/20 0.33
CTSS P25774 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPY5R Q15761 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHEK1 O14757 1/20 0.33
FGFR2 P21802 1/20 0.32

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
SCHEMBL24111506 0.85 MYC (0.37) ALDH1A1HPGDLMNASMN1; SMN2NPSR1
SCHEMBL19309176 0.83 PRKCQ (0.37) ALDH1A1HPGDLMNASMN1; SMN2NPSR1
SCHEMBL21971670 0.82 MYC (0.36) ALDH1A1HPGDLMNASMN1; SMN2NPSR1
SCHEMBL24027426 0.82 MYC (0.36) ALDH1A1HPGDLMNASMN1; SMN2NPSR1
SCHEMBL20412649 0.81 SQOR (0.36) ALDH1A1HPGDLMNASMN1; SMN2NPSR1
SCHEMBL29775960 0.80 NOS3 (0.52) MYCKIF11XDHABCG2CTSS
SCHEMBL9004182 0.80 HDAC8 (0.37) ALDH1A1HPGDLMNAKIF11ALOX15
SCHEMBL2334808 0.80 NOS3 (0.52) MYCKIF11XDHABCG2CTSS
SCHEMBL13737546 0.77 MYC (0.35) MYCXDHABCG2CTSKCTSS
SCHEMBL26050433 0.77 IDH1 (0.35) MYCXDHABCG2CTSSNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20230357294-A1 SPIRO-CYCLOMETALATED IRIDIUM EMITTERS FOR OLED APPLICATIONS THE UNIVERSITY OF HONG KONG (HK) 2023-11-09 US disclosed
US-11780852-B2 Methods for treating Crohn's disease using 3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-10-10 US disclosed
US-11780852-B2 Methods for treating Crohn's disease using 3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-10-10 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-20230212199-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2023-01-19 US disclosed
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 WO disclosed
EP-0850322-B1 SELECTIVE SEPARATION OF DISSOLVED METAL SPECIES WITH SUBSTITUTED 1,3,5 TRIAZINE EXTRACTANTS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2001-05-09 EP disclosed
EP-0850322-A1 SELECTIVE SEPARATION OF DISSOLVED METAL SPECIES WITH SUBSTITUTED 1,3,5 TRIAZINE EXTRACTANTS Commissariat à l'Energie Atomique (FR) 1998-07-01 EP disclosed
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
WO-1998002594-A1 SELECTIVE SEPARATION OF DISSOLVED METAL SPECIES WITH SUBSTITUTED 1,3,5 TRIAZINE EXTRACTANTS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1998-01-22 WO disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
EP-0433457-B1 ANTIPRURITIC COMPOSITION SHISEIDO CO LTD (JP) 1994-10-19 EP disclosed
US-5219847-A Antipruritic composition SHISEIDO COMPANY, LTD. (JP) 1993-06-15 US disclosed
EP-0433457-A1 ANTIPRURITIC COMPOSITION SHISEIDO COMPANY LIMITED (JP) 1991-06-26 EP 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 (8 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-20230357294-A1 SPIRO-CYCLOMETALATED IRIDIUM EMITTERS FOR OLED APPLICATIONS TALDO1, SRD5A1, SRD5A2 ALDH1A1 191/4885HPGD 372/4885LMNA 4674/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ALDH1A1 2834/4885HPGD 2694/4885LMNA 4645/4885
US-11780852-B2 Methods for treating Crohn's disease using 3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile ALPI, TPMT, SLC10A2 ALDH1A1 627/4885HPGD 785/4885LMNA 2913/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP ALDH1A1 4157/4885HPGD 4393/4885LMNA 1340/4885
US-20230212199-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PHOSPHO1, SGMS1, SGMS2 ALDH1A1 3704/4885HPGD 1088/4885LMNA 878/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 ALDH1A1 164/4885HPGD 567/4885LMNA 4790/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 3154/4885HPGD 836/4885LMNA 1475/4885
US-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA ALDH1A1 3953/4885HPGD 1431/4885LMNA 2810/4885

“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.