SCHEMBL4336535

SCHEMBL4336535

COc1ccc2sc(Nc3cccc(C(C)C)c3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.62
NPC1 O15118 11/20 0.62
RAB9A P51151 11/20 0.62
MEN1 O00255 8/20 0.62
KMT2A Q03164 8/20 0.62
MAPT P10636 8/20 0.62
ALDH1A1 P00352 4/20 0.62
HTT P42858 2/20 0.62
GAA P10253 1/20 0.62
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
POLB P06746 2/20 0.53
DYRK1A Q13627 2/20 0.51
TP53 P04637 2/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
RAF1 P04049 3/20 0.48
BRAF P15056 3/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL6024566 0.94 NPC1 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4330428 0.83 DYRK1A (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4336416 0.78 BRAF (0.67) SMN1; SMN2NPC1RAB9ADYRK1ARAF1
SCHEMBL5027241 0.77 RAB9A (0.80) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2895657 0.76 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL5946695 0.75 NPC1 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3128174 0.73 NPC1 (0.67) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3950889 0.73 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11816502 0.71 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL3357182 0.71 SMN1; SMN2 (0.63) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US disclosed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 US disclosed
EP-1682126-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-26 EP disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 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-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase BRAF, RAF1, ARAF SMN1; SMN2 3544/4885NPC1 4051/4885RAB9A 1454/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF SMN1; SMN2 3544/4885NPC1 4051/4885RAB9A 1454/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF SMN1; SMN2 3544/4885NPC1 4051/4885RAB9A 1454/4885

“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.