SCHEMBL14137336

SCHEMBL14137336

COc1c(Cl)c(NC(=O)c2csc3c(Nc4ccc(C)cn4)ncnc23)c(Cl)c(OC)c1Br

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.40
RAF1 P04049 9/20 0.40
CSF1R P07333 6/20 0.39
DDR1 Q08345 5/20 0.39
DDR2 Q16832 5/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ARAF P10398 1/20 0.37
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
LCK P06239 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
SORT1 Q99523 1/20 0.35
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL14125143 0.96 BRAF (0.39) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL2236303 0.88 NPC1 (0.43) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL14125057 0.86 NPC1 (0.42) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL2232145 0.85 BRAF (0.45) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL2234259 0.84 BRAF (0.46) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL2297740 0.84 BRAF (0.38) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL2233292 0.83 BRAF (0.46) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL2233941 0.82 LCK (0.47) NPC1RAB9ALCKKDM4E
SCHEMBL14125127 0.81 BRAF (0.45) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL2235183 0.81 BRAF (0.42) BRAFRAF1CSF1RDDR1DDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 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-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CDK2, SBK3, CDK2AP1 BRAF 113/4885RAF1 130/4885CSF1R 4274/4885

“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.