SCHEMBL2951371

SCHEMBL2951371

CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)no1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.66
KDR P35968 1/20 0.65
MAPK14 Q16539 4/20 0.65
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
MAPT P10636 3/20 0.59
HTT P42858 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ATM Q13315 1/20 0.58
FLT3 P36888 5/20 0.57
RAPGEF3 O95398 1/20 0.56
MAPK13 O15264 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
CSF1R P07333 1/20 0.55

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
SCHEMBL1015575 0.84 MAPK14 (0.65) RAF1MAPK14KMT2AMEN1RAB9A
SCHEMBL667805 0.81 FLT3 (0.62) RAF1KDRMAPK14KMT2AMEN1
SCHEMBL13234430 0.81 MAPK14 (0.76) RAF1KDRMAPK14KMT2AMEN1
SCHEMBL667804 0.81 FLT3 (0.59) RAF1MAPK14KMT2AMEN1RAB9A
SCHEMBL29364392 0.81 KDR (1.00) KDR
SCHEMBL118026 0.81 KDR (1.00) KDR
SCHEMBL4246969 0.81 MAPK14 (0.77) RAF1KDRMAPK14MAPTFLT3
SCHEMBL13615194 0.80 MAPK14 (0.73) RAF1KDRMAPK14KMT2AMEN1
SCHEMBL13234774 0.79 FLT3 (0.69) RAF1MAPK14KMT2AMEN1RAB9A
SCHEMBL13264366 0.79 MAPK14 (0.76) RAF1KDRMAPK14KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-20050267182-A1 Urea derivatives as FLT-3 modulators AMBIT BIOSCIENCES CORPORATION 2005-12-01 US disclosed
US-20050197371-A1 Urea derivatives as PDGFR modulators AMBIT BIOSCIENCES CORPORATION 2005-09-08 US disclosed
US-20050192314-A1 Urea derivatives as C-kit modulators AMBIT BIOSCIENCES CORPORATION 2005-09-01 US disclosed
US-20050165031-A1 Urea derivatives as ABL modulators AMBIT BIOSCIENCES CORPORATION 2005-07-28 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 (5 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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR RAF1 372/4885KDR 1094/4885MAPK14 1436/4885
US-20050192314-A1 Urea derivatives as C-kit modulators KIT, PRKCH, PRKCE RAF1 135/4885KDR 456/4885MAPK14 481/4885
US-20050267182-A1 Urea derivatives as FLT-3 modulators FLT4, FLT1, FLT3 RAF1 338/4885KDR 4/4885MAPK14 1779/4885
US-20050197371-A1 Urea derivatives as PDGFR modulators PDGFRA, PDGFRB, PDGFA RAF1 636/4885KDR 6/4885MAPK14 1909/4885
US-20050165031-A1 Urea derivatives as ABL modulators ABL1, ABL2, BCR RAF1 372/4885KDR 1094/4885MAPK14 1436/4885

“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.