SCHEMBL997167

SCHEMBL997167

CC(C)(C#N)c1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.52
IMPDH1 P20839 1/20 0.52
ATM Q13315 1/20 0.47
APP P05067 1/20 0.44
GPR84 Q9NQS5 4/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
AHR P35869 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FFAR1 O14842 1/20 0.41
PBRM1 Q86U86 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2A6 P11509 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
SCHEMBL9593180 0.87 IMPDH2 (0.50) IMPDH2IMPDH1ATMAPPGPR84
SCHEMBL8998932 0.83 IMPDH2 (0.46) IMPDH2IMPDH1ATMAPPGPR84
SCHEMBL8999076 0.83 IMPDH2 (0.46) IMPDH2IMPDH1ATMAPPGPR84
SCHEMBL11797189 0.81 ATM (0.50) IMPDH2IMPDH1ATMGPR84MEN1
SCHEMBL799601 0.80 ATM (0.54) IMPDH2IMPDH1ATMGPR84MEN1
SCHEMBL1685393 0.80 ATM (0.54) IMPDH2IMPDH1ATMGPR84MEN1
SCHEMBL13335152 0.80 ATM (0.54) IMPDH2IMPDH1ATMGPR84MEN1
SCHEMBL30437029 0.80 ATM (0.54) IMPDH2IMPDH1ATMGPR84MEN1
SCHEMBL29885789 0.80 ATM (0.54) IMPDH2IMPDH1ATMGPR84MEN1
SCHEMBL20110126 0.77 HTR2A (0.44) MEN1KMT2AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104529865-B Benzylamine derivatives and application thereof in medicines 广东东阳光药业有限公司 2017-02-01 CN disclosed
CN-104496987-B Compound substitution heterocycle class and the application on medicine thereof SUNSHINE LAKE PHARMA CO.,LTD. (CN) 2016-03-02 CN disclosed
CN-104529866-A Indole derivatives and application thereof in medicines GUANGDONG HEC PHARMACEUTICAL 2015-04-22 CN disclosed
CN-104529865-A Benzylamine derivatives and application thereof in medicines GUANGDONG HEC PHARMACEUTICAL 2015-04-22 CN disclosed
CN-104496987-A Substituted heterocyclic compound and application thereof in medicines GUANGDONG HEC PHARMACEUTICAL 2015-04-08 CN disclosed
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
EP-1539141-B1 3-(SULFONAMIDOETHYL)-INDOLE DERIVATIVES FOR USE AS GLUCOCORTICOID MIMETICS IN THE TREATMENT OF INFLAMMATORY, ALLERGIC AND PROLIFERATIVE DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2010-07-14 EP disclosed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 WO disclosed
WO-2007002637-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP disclosed
CN-1678306-A -3 (sulfonamidoethyl) -indole derivaties for use as glucocorticoid mimetics in the treatment of inflammatory, allergic and proliferative diseases BOEHRINGER INGELHEIM PHARMA (US) 2005-10-05 CN disclosed
EP-1539141-A1 -3 (SULFONAMIDOETHYL) -INDOLE DERIVATIES FOR USE AS GLUCOCORTICOID MIMETICS IN THE TREATMENT OF INFLAMMATORY, ALLERGIC AND PROLIFERATIVE DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-15 EP disclosed
US-20040097574-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-05-20 US disclosed
WO-2004019935-A1 -3 (SULFONAMIDOETHYL) -INDOLE DERIVATIES FOR USE AS GLUCOCORTICOID MIMETICS IN THE TREATMENT OF INFLAMMATORY, ALLERGIC AND PROLIFERATIVE DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-11 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 (2 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS IMPDH2 1828/4885IMPDH1 1473/4885ATM 4001/4885
US-20040097574-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R IMPDH2 4655/4885IMPDH1 4117/4885ATM 4173/4885

“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.