SCHEMBL2625728

SCHEMBL2625728

COc1cccc(-n2cc3cccc(Br)c3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.52
ADORA3 P0DMS8 3/20 0.52
ADORA2A P29274 2/20 0.52
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
NOTUM Q6P988 1/20 0.46
ADORA2B P29275 1/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP1 P09874 4/20 0.41
PARP2 Q9UGN5 2/20 0.41
PARP3 Q9Y6F1 2/20 0.41
BRAF P15056 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL29472984 0.78 ADORA1 (0.59) ADORA1ADORA3ADORA2ANOTUMADORA2B
SCHEMBL28541224 0.78 ADORA1 (0.59) ADORA1ADORA3ADORA2ANOTUMADORA2B
SCHEMBL28816208 0.77 NOTUM (0.48) ADORA1ADORA3ADORA2ANOTUMLMNA
SCHEMBL23320443 0.76 ADORA1 (0.48) ADORA1ADORA3ADORA2ANOTUMADORA2B
SCHEMBL30943227 0.76 ADORA1 (0.48) ADORA1ADORA3ADORA2ANOTUMADORA2B
SCHEMBL2625729 0.71 SMN1; SMN2 (0.52) ADORA1ADORA3ADORA2APSEN1PSEN2
SCHEMBL18039450 0.71 ELANE (0.48) ADORA1ADORA3NOTUMLMNAHSD17B10
SCHEMBL17883765 0.71 NOTUM (0.55) ADORA1ADORA3ADORA2ANOTUMLMNA
SCHEMBL23320420 0.70 ADORA1 (0.54) ADORA1ADORA3ADORA2ANOTUMADORA2B
SCHEMBL16634170 0.70 NOTUM (0.50) NOTUMMAPK1SMN1; SMN2BCHEMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835482-B2 Substituted indazole and aza-indazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-09-16 US disclosed
US-8835482-B2 Substituted indazole and aza-indazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-09-16 US disclosed
US-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-04-19 US disclosed
US-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-04-19 US disclosed
WO-2010145883-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-12-23 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-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A ADORA1 47/4885ADORA3 43/4885ADORA2A 438/4885

“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.