SCHEMBL2583862

SCHEMBL2583862

O=C(Nc1ccc(Oc2ccnc3c([N+](=O)[O-])cccc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.69
BRAF P15056 9/20 0.61
RAF1 P04049 2/20 0.54
CDK8 P49336 3/20 0.53
MEN1 O00255 1/20 0.53
PLK4 O00444 1/20 0.53
CIT O14578 1/20 0.53
AURKA O14965 1/20 0.53
MUSK O15146 1/20 0.53
EPHB6 O15197 1/20 0.53
MAPK13 O15264 1/20 0.53
MLNR O43193 1/20 0.53
MAP3K7 O43318 1/20 0.53
RIPK2 O43353 1/20 0.53
DYRK3 O43781 1/20 0.53
PDE6D O43924 1/20 0.53
NR1I2 O75469 1/20 0.53
STK10 O94804 1/20 0.53
CDK14 O94921 1/20 0.53
ABCB11 O95342 1/20 0.53

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
SCHEMBL2579543 0.90 BRAF (0.61) KDRBRAFRAF1CSF1RRET
SCHEMBL2579421 0.86 KDR (0.74) KDRBRAFRAF1CDK8RIPK1
SCHEMBL2577878 0.84 KDR (0.70) KDRBRAFRAF1CDK8MEN1
SCHEMBL282044 0.82 KDR (1.00) KDRBRAFRAF1CDK8MEN1
SCHEMBL4461634 0.81 KDR (0.63) KDRBRAFRAF1CDK8MEN1
SCHEMBL16621015 0.80 KDR (0.70) KDRBRAFRAF1CDK8MEN1
SCHEMBL2581374 0.80 KDR (0.65) KDRBRAFRAF1CDK8RET
SCHEMBL14684330 0.80 BRAF (0.52) KDRBRAFPDGFRAMAPK14TNNI3K
SCHEMBL16620824 0.78 KDR (0.65) KDRBRAFRAF1CDK8MEN1
SCHEMBL2577906 0.78 KDR (0.62) KDRBRAFRAF1CDK8RET

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 disclosed
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
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 29/4885RAF1 140/4885

“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.