SCHEMBL2895657

SCHEMBL2895657

COc1ccc2sc(Nc3ccc(Br)cc3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.67
NPC1 O15118 11/20 0.67
RAB9A P51151 11/20 0.67
MEN1 O00255 11/20 0.67
KMT2A Q03164 11/20 0.67
MAPT P10636 10/20 0.67
NFKB1 P19838 3/20 0.63
NFKB2 Q00653 3/20 0.63
RELA Q04206 3/20 0.63
POLB P06746 2/20 0.63
RAF1 P04049 2/20 0.59
BRAF P15056 2/20 0.59
DYRK1A Q13627 1/20 0.56
ALDH1A1 P00352 6/20 0.55
HTT P42858 3/20 0.55
GAA P10253 3/20 0.55
TSHR P16473 1/20 0.51
STAT1 P42224 1/20 0.51
HPGD P15428 4/20 0.50
KDM4E B2RXH2 3/20 0.50

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
SCHEMBL14880886 0.89 MAPT (0.84) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11816502 0.81 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14881198 0.79 NPC1 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14881077 0.79 IDO1 (0.59) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2892192 0.79 DYRK1A (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3128174 0.78 NPC1 (0.67) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1822612 0.77 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2759505 0.77 MAPT (0.86) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4336535 0.76 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2400142 0.76 NPC1 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-8614330-B2 Substituted benz-azoles and methods of their use as inhibitors of RAF kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-12-24 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-08-05 US disclosed
US-7728010-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-06-01 US disclosed
EP-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 EP disclosed
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2007-12-27 US disclosed
EP-1675584-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-05 EP disclosed
US-7071216-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2006-07-04 US disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 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 (5 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF SMN1; SMN2 4020/4885NPC1 4125/4885RAB9A 1662/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF SMN1; SMN2 4075/4885NPC1 4460/4885RAB9A 1810/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF SMN1; SMN2 4020/4885NPC1 4125/4885RAB9A 1662/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF SMN1; SMN2 4075/4885NPC1 4460/4885RAB9A 1810/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF SMN1; SMN2 4075/4885NPC1 4460/4885RAB9A 1810/4885

“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.