SCHEMBL2944830

SCHEMBL2944830

COc1ccc(CNC(=O)Nc2cc(C(C)(C)C)on2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.66
POLB P06746 2/20 0.54
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
RIPK2 O43353 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL13234464 0.87 RAF1 (0.62) RAF1POLBMAPK13MAPK12MAPK11
SCHEMBL102637 0.86 RAF1 (0.72) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13199934 0.83 KDM4E (0.71) RAF1KMT2ASMN1; SMN2HTTL3MBTL1
SCHEMBL13234432 0.83 RAF1 (0.93) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13199974 0.81 RAF1 (0.60) RAF1POLBNPC1RAB9AMEN1
SCHEMBL16990706 0.81 RAF1 (0.62) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13234462 0.80 ALDH1A1 (0.55) RAF1POLBMAPK14NPC1RAB9A
SCHEMBL13234371 0.80 RAF1 (0.86) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13234650 0.79 RAF1 (0.60) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL15574401 0.79 RAF1 (0.77) RAF1MAPK13MAPK12MAPK11MAPK14

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 11 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
US-20050165024-A1 Urea derivatives as kinase 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 (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 115/4885POLB 1272/4885MAPK13 154/4885
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR RAF1 372/4885POLB 1644/4885MAPK13 1519/4885
US-20050192314-A1 Urea derivatives as C-kit modulators KIT, PRKCH, PRKCE RAF1 135/4885POLB 2143/4885MAPK13 314/4885
US-20050267182-A1 Urea derivatives as FLT-3 modulators FLT4, FLT1, FLT3 RAF1 338/4885POLB 1663/4885MAPK13 948/4885
US-20050197371-A1 Urea derivatives as PDGFR modulators PDGFRA, PDGFRB, PDGFA RAF1 636/4885POLB 1007/4885MAPK13 1249/4885
US-20050165031-A1 Urea derivatives as ABL modulators ABL1, ABL2, BCR RAF1 372/4885POLB 1644/4885MAPK13 1519/4885

“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.