SCHEMBL6599646

SCHEMBL6599646

Cc1ccc2[nH]cc(C#N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.56
IMPDH1 P20839 1/20 0.56
SLC6A4 P31645 9/20 0.48
HTR1D P28221 1/20 0.47
HTR2A P28223 1/20 0.47
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
HASPIN Q8TF76 1/20 0.46
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
NR4A2 P43354 1/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A3 Q01959 2/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
APOBEC3A P31941 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL10085581 0.86 HSD17B10 (0.55) IMPDH2IMPDH1SLC6A4HTR1DHTR2A
SCHEMBL6600237 0.85 IMPDH2 (0.56) IMPDH2IMPDH1SLC6A4HTR2ACCNT1
SCHEMBL29940868 0.78 IMPDH2 (0.56) IMPDH2IMPDH1SLC6A4HTR1DCCNT1
SCHEMBL12427125 0.78 IMPDH2 (0.56) IMPDH2IMPDH1SLC6A4CCNT1CDK9
SCHEMBL27708724 0.78 IMPDH2 (0.56) IMPDH2IMPDH1SLC6A4HTR2ACCNT1
SCHEMBL186728 0.78 CSNK2A1 (0.58) IMPDH2IMPDH1SLC6A4HTR2ACCNT1
SCHEMBL2006656 0.78 IMPDH2 (0.56) IMPDH2IMPDH1SLC6A4HTR1DHTR2A
SCHEMBL3298121 0.78 IMPDH2 (0.56) IMPDH2IMPDH1SLC6A4HTR1DCCNT1
SCHEMBL3646740 0.78 IMPDH2 (0.56) IMPDH2IMPDH1SLC6A4HTR2ACCNT1
SCHEMBL6602865 0.77 IMPDH2 (0.51) IMPDH2IMPDH1SLC6A4HTR1DCCNT1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3823971-B1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-07-27 EP claimed
CN-112673009-B Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 CN disclosed
US-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-07-13 US disclosed
EP-3892616-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2021-10-13 EP disclosed
CN-112028825-A Tyrosine kinase inhibitor and pharmaceutical composition containing same 广东众生睿创生物科技有限公司 2020-12-04 CN disclosed
CN-107683279-B Tyrosine kinase inhibitor and pharmaceutical composition containing same 广东众生睿创生物科技有限公司 2020-11-03 CN disclosed
WO-2020114475-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE 上海济煜医药科技有限公司 2020-06-11 WO disclosed
CN-101219986-B 3-cyanogen radical indole compounds and its synthetic method SHANGHAI CHEMPARTNER CO LTD 2011-08-10 CN disclosed
CN-101219986-A 3-cyanogen radical indole compounds and its synthetic method SHANGHAI CHEMPARTNER CO LTD (CN) 2008-07-16 CN disclosed
EP-1170009-B1 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2004-04-07 EP disclosed
EP-0880519-B1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-17 EP disclosed
EP-1170009-A2 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-09 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0880519-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
WO-1997027190-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 WO 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 (1 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-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF C9, C5, C1QBP IMPDH2 4255/4885IMPDH1 3572/4885SLC6A4 3350/4885

“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.