SCHEMBL2188351

SCHEMBL2188351

COc1cc(-n2cccn2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.45
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
PTPN1 P18031 1/20 0.41
APP P05067 2/20 0.41
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
GHSR Q92847 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
SCHEMBL8231759 0.88 TUBB4A (0.47) NLRP3NOTUMALDH1A1CYP3A4HCRTR1
SCHEMBL27932708 0.85 NOTUM (0.49) NOTUMALDH1A1CCNT1CDK9HCRTR1
SCHEMBL13347571 0.83 NOTUM (0.46) NOTUMALDH1A1CCNT1CDK9HCRTR1
SCHEMBL8216643 0.81 NOTUM (0.53) NOTUMALDH1A1CCNT1CDK9HCRTR1
SCHEMBL5756029 0.81 PTPN1 (0.49) NOTUMALDH1A1CCNT1CDK9HCRTR1
SCHEMBL15475872 0.81 PTPN1 (0.49) NOTUMALDH1A1CCNT1CDK9HCRTR1
SCHEMBL8114245 0.81 NOTUM (0.45) NOTUMALDH1A1CCNT1CDK9HCRTR1
SCHEMBL5337022 0.80 NOTUM (0.53) NLRP3NOTUMALDH1A1KDM4EMAPK1
SCHEMBL16911508 0.79 NOTUM (0.46) NOTUMALDH1A1CCNT1CDK9HCRTR1
SCHEMBL16051759 0.79 NOTUM (0.42) NOTUMALDH1A1CCNT1CDK9HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026722-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Université Côte d’Azur (FR) 2025-01-23 US disclosed
EP-4169904-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-04-26 EP disclosed
US-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 US disclosed
US-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 US disclosed
US-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 US disclosed
EP-2186813-A1 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SmithKline Beecham (Cork) Limited (IE) 2010-05-19 EP disclosed
US-7427630-B2 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMACO PUERTO RICO INC. (US) 2008-09-23 US disclosed
US-7427630-B2 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMACO PUERTO RICO INC. (US) 2008-09-23 US disclosed
US-7427630-B2 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMACO PUERTO RICO INC. (US) 2008-09-23 US disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 US disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 US disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 US disclosed
EP-1611133-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC. CSC, The United States Corporation Company (PR) 2006-01-04 EP disclosed
WO-2004094420-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC (US) 2004-11-04 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 (3 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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists CRH, CRHR1, CRHR2 NLRP3 1150/4885NOTUM 3602/4885ALDH1A1 3090/4885
US-20250026722-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS NFKBIA, IKBKG, IKBKB NLRP3 574/4885NOTUM 3282/4885ALDH1A1 4682/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 NLRP3 3236/4885NOTUM 3273/4885ALDH1A1 4153/4885

“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.