SCHEMBL4333203

SCHEMBL4333203

CNc1ccc(Oc2ccnc(NC(=O)CCC3CCN(C(=O)O)C(C(C)(C)C)C3)c2)cc1N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK14 Q16539 4/20 0.39
KDR P35968 9/20 0.36
BRAF P15056 6/20 0.36
AXL P30530 3/20 0.36
MERTK Q12866 3/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
GCK P35557 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL4413183 0.83 MEN1 (0.43) MEN1NPC1TP53TSHRRAB9A
SCHEMBL5359686 0.81 AXL (0.40) MAPK14KDRBRAFAXLMERTK
SCHEMBL4413188 0.76 KDR (0.39) MAPK14KDRBRAFGCK
SCHEMBL5358853 0.75 KDR (0.45) MAPK14KDRBRAFAXLMERTK
SCHEMBL4320095 0.74 KDR (0.44) KDRBRAF
SCHEMBL4320097 0.74 KDR (0.44) KDRBRAF
SCHEMBL4328795 0.74 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2MAPK14BRAF
SCHEMBL13788545 0.73 MEN1 (0.45) MEN1TSHRKMT2AMAPK14BRAF
SCHEMBL5371154 0.73 KDR (0.47) KDRBRAF
SCHEMBL13788616 0.72 MEN1 (0.46) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US 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-20090035309-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.