SCHEMBL2949523

SCHEMBL2949523

CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCCc3ccncc3)cc2)no1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.70
RIPK2 O43353 1/20 0.70
FLT3 P36888 4/20 0.62
MAPK14 Q16539 3/20 0.60
MAPK13 O15264 2/20 0.60
MAPK12 P53778 1/20 0.60
MAPK11 Q15759 1/20 0.60
RET P07949 2/20 0.57
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
KDR P35968 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
SCHEMBL13234580 0.95 RAF1 (0.72) RAF1RIPK2FLT3MAPK14MAPK13
SCHEMBL13200145 0.86 RAF1 (0.53) RAF1RIPK2FLT3MAPK14MAPK13
SCHEMBL13234659 0.86 RAF1 (0.71) RAF1RIPK2FLT3MAPK14MAPK13
SCHEMBL13234582 0.85 MAPK14 (0.73) RAF1RIPK2FLT3MAPK14MAPK13
SCHEMBL668459 0.83 RAF1 (1.00) RAF1RIPK2FLT3MAPK14MAPK13
SCHEMBL667635 0.83 RAF1 (1.00) RAF1RIPK2FLT3MAPK14MAPK13
SCHEMBL13234576 0.82 RAB9A (0.72) RAF1RIPK2FLT3MAPK14MAPK13
SCHEMBL668246 0.82 RAF1 (0.71) RAF1RIPK2FLT3MAPK14MAPK13
SCHEMBL13200111 0.82 FLT3 (0.58) RAF1RIPK2FLT3MAPK14MAPK13
SCHEMBL13234364 0.82 RAF1 (0.62) RAF1RIPK2FLT3MAPK14MAPK13

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 14 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
EP-1684762-A4 UREA DERIVATIVES AS KINASE MODULATORS AMBIT BIOSCIENCES CORP (US) 2009-06-17 EP disclosed
EP-1684762-A2 UREA DERIVATIVES AS KINASE MODULATORS Ambit Biosciences Corporation (US) 2006-08-02 EP 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-20050165024-A1 Urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION 2005-07-28 US disclosed
US-20050165031-A1 Urea derivatives as ABL modulators AMBIT BIOSCIENCES CORPORATION 2005-07-28 US disclosed
WO-2005048948-A2 UREA DERIVATIVES AS KINASE MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2005-06-02 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 (6 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-20050165024-A1 Urea derivatives as kinase modulators ULK2, ULK1, ULK3 RAF1 115/4885RIPK2 415/4885FLT3 537/4885
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR RAF1 372/4885RIPK2 3664/4885FLT3 7/4885
US-20050192314-A1 Urea derivatives as C-kit modulators KIT, PRKCH, PRKCE RAF1 135/4885RIPK2 829/4885FLT3 86/4885
US-20050267182-A1 Urea derivatives as FLT-3 modulators FLT4, FLT1, FLT3 RAF1 338/4885RIPK2 1820/4885FLT3 3/4885
US-20050197371-A1 Urea derivatives as PDGFR modulators PDGFRA, PDGFRB, PDGFA RAF1 636/4885RIPK2 2958/4885FLT3 10/4885
US-20050165031-A1 Urea derivatives as ABL modulators ABL1, ABL2, BCR RAF1 372/4885RIPK2 3664/4885FLT3 7/4885

“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.