SCHEMBL4413183

SCHEMBL4413183

CNc1ccc(Oc2ccnc(NC(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.43
GPR119 Q8TDV5 8/20 0.41
MAPK14 Q16539 2/20 0.41
CETP P11597 1/20 0.41
BRAF P15056 2/20 0.40
KDR P35968 2/20 0.40
PIK3CA P42336 1/20 0.40
PRKDC P78527 1/20 0.40
YAP1 P46937 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 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
SCHEMBL4333203 0.83 MEN1 (0.40) MEN1NPC1TP53TSHRRAB9A
SCHEMBL4333723 0.81 KDR (0.40) MAPK14BRAFKDR
SCHEMBL12503676 0.81 YAP1 (0.46) GPR119CETPBRAFKDRPIK3CA
SCHEMBL4329061 0.81 AXL (0.43) GPR119CETPBRAFKDRPIK3CA
SCHEMBL1892285 0.80 YAP1 (0.45) FAAHGPR119CETPBRAFKDR
SCHEMBL13788582 0.79 LMNA (0.48) MEN1NPC1KMT2ABRAFKDR
SCHEMBL4413188 0.77 KDR (0.39) MAPK14BRAFKDR
SCHEMBL4327777 0.77 BRAF (0.51) BRAFKDR
SCHEMBL4423786 0.77 KDR (0.47) NPC1RAB9ABRAFKDR
SCHEMBL4328795 0.77 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2MAPK14BRAF

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
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP 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 (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-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MEN1 2406/4885NPC1 4051/4885TP53 211/4885

“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.