SCHEMBL2581374

SCHEMBL2581374

Nc1cccc2c(Oc3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccnc12

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.65
CDK8 P49336 3/20 0.63
CCNC P24863 1/20 0.61
RET P07949 1/20 0.60
BRAF P15056 10/20 0.56
RAF1 P04049 3/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
RIPK1 Q13546 1/20 0.56

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
SCHEMBL2579421 0.94 KDR (0.74) KDRCDK8BRAFRAF1RIPK1
SCHEMBL2590020 0.90 BRAF (0.58) KDRCDK8CCNCRETBRAF
SCHEMBL2577906 0.87 KDR (0.62) KDRCDK8CCNCRETBRAF
SCHEMBL2579416 0.83 BRAF (0.65) KDRRETBRAFRAF1
SCHEMBL2577878 0.81 KDR (0.70) KDRCDK8CCNCRETBRAF
SCHEMBL2583862 0.80 KDR (0.69) KDRCDK8CCNCRETBRAF
SCHEMBL21357082 0.80 CDK8 (0.70) KDRCDK8CCNCRETBRAF
SCHEMBL29503385 0.80 CDK8 (0.70) KDRCDK8CCNCRETBRAF
SCHEMBL1794903 0.79 BRAF (0.86) BRAF
SCHEMBL14684316 0.79 KDM4E (0.49) KDRBRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049014-B2 Aminoquinoline derivatives, preparation method thereof and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-11-01 US claimed
US-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KP) 2010-09-30 US claimed
US-8049014-B2 Aminoquinoline derivatives, preparation method thereof and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-11-01 US disclosed
US-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KP) 2010-09-30 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-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME NRAS, SFPQ, TYR KDR 1517/4885CDK8 542/4885CCNC 310/4885

“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.