SCHEMBL16620818

SCHEMBL16620818

O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.61
CCNC P24863 1/20 0.60
CDK8 P49336 1/20 0.60
KDR P35968 4/20 0.58
EGFR P00533 2/20 0.58
FGFR1 P11362 2/20 0.58
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
MTOR P42345 1/20 0.56
MAPT P10636 3/20 0.55
EPHX2 P34913 1/20 0.55
RAF1 P04049 1/20 0.55
TSHR P16473 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MAPK14 Q16539 2/20 0.54

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
SCHEMBL3174300 0.88 KDR (0.70) NAMPTCCNCCDK8KDREGFR
SCHEMBL16628034 0.86 MAPT (0.60) KDRMEN1RAB9AKMT2AMTOR
SCHEMBL11001590 0.82 EPHX2 (0.81) KDREGFRFGFR1MEN1RAB9A
SCHEMBL939205 0.81 KDR (0.79) CDK8KDREGFRFGFR1EPHX2
SCHEMBL16620819 0.80 MAPT (0.59) KDRMEN1POLBRAB9AKMT2A
SCHEMBL16628073 0.80 CA12 (0.59) KDREGFRFGFR1MEN1RAB9A
SCHEMBL16628086 0.80 KDR (0.68) CCNCCDK8KDRMEN1POLB
SCHEMBL4238045 0.79 MEN1 (0.67) NAMPTCCNCCDK8KDRMEN1
SCHEMBL17664318 0.79 EPHX2 (0.81) KDREGFRFGFR1MEN1RAB9A
SCHEMBL2681462 0.77 MAPT (0.78) KDRMEN1RAB9AKMT2AMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200138829-A1 METHODS OF CANCER TREATMENT Ferro Therapeutics, Inc. 2020-05-07 US disclosed
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO 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-20200138829-A1 METHODS OF CANCER TREATMENT AIFM2, GPX4, DDIT3 NAMPT 388/4885CCNC 2581/4885CDK8 2064/4885

“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.