SCHEMBL2625729

SCHEMBL2625729

COc1cccc(-n2nc3c(Br)cccc3c2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
ADORA3 P0DMS8 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
S1PR4 O95977 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
SCHEMBL16872784 0.79 KMT2A (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL27938726 0.73 KMT2A (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL23558009 0.73 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AMEN1ADORA3ADORA1
SCHEMBL27938655 0.72 SMO (0.55) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL2625728 0.71 ADORA1 (0.52) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL31437878 0.71 RAB9A (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL20213726 0.70 MAPT (0.69) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL21208579 0.70 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL11841355 0.69 MAPT (0.53) SMN1; SMN2KMT2AMEN1ADORA1ADORA2A
SCHEMBL20213785 0.69 MEN1 (0.74) SMN1; SMN2KMT2AMEN1ADORA3ADORA1

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 SMN1; SMN2 3959/4885KMT2A 2832/4885MEN1 2249/4885

“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.