SCHEMBL2579421

SCHEMBL2579421

Nc1cccc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc12

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.74
BRAF P15056 8/20 0.65
CDK8 P49336 3/20 0.60
RAF1 P04049 1/20 0.60
RIPK1 Q13546 1/20 0.59

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
SCHEMBL2581374 0.94 KDR (0.65) KDRBRAFCDK8RAF1RIPK1
SCHEMBL2579416 0.89 BRAF (0.65) KDRBRAFRAF1
SCHEMBL2577878 0.87 KDR (0.70) KDRBRAFCDK8RAF1RIPK1
SCHEMBL2583862 0.86 KDR (0.69) KDRBRAFCDK8RAF1RIPK1
SCHEMBL282044 0.85 KDR (1.00) KDRBRAFCDK8RAF1RIPK1
SCHEMBL2590020 0.83 BRAF (0.58) KDRBRAFCDK8RAF1
SCHEMBL16621015 0.83 KDR (0.70) KDRBRAFCDK8RAF1RIPK1
SCHEMBL2936061 0.83 KDR (0.69) KDRBRAFCDK8RAF1RIPK1
SCHEMBL16620824 0.81 KDR (0.65) KDRBRAFCDK8RAF1RIPK1
SCHEMBL2577906 0.81 KDR (0.62) KDRBRAFCDK8RAF1

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 1517/4885BRAF 29/4885CDK8 542/4885

“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.