SCHEMBL2943178

SCHEMBL2943178

COc1ccc(SC(=O)Nc2cc(C(C)(C)C)no2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
RAF1 P04049 3/20 0.50
MAPK14 Q16539 5/20 0.47
BRAF P15056 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
FLT3 P36888 2/20 0.44
CNR2 P34972 4/20 0.41
MAPK13 O15264 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL13234433 0.80 RAF1 (0.74) ALDH1A1RAF1MAPK14BRAFMEN1
SCHEMBL2949615 0.79 RAF1 (0.62) RAF1MAPK14BRAFMEN1KMT2A
SCHEMBL13200803 0.78 KMT2A (0.61) ALDH1A1RAF1MAPK14MEN1KMT2A
SCHEMBL667912 0.77 RAF1 (0.70) ALDH1A1RAF1MAPK14BRAFMEN1
SCHEMBL669077 0.77 RAF1 (0.81) ALDH1A1RAF1MAPK14BRAFFLT3
SCHEMBL13234462 0.76 ALDH1A1 (0.55) ALDH1A1RAF1MAPK14BRAFMEN1
SCHEMBL1465888 0.76 CNR2 (0.56) ALDH1A1RAF1MAPK14CNR2CNR1
SCHEMBL13234521 0.76 KMT2A (0.53) ALDH1A1RAF1MAPK14MEN1KMT2A
SCHEMBL9712726 0.75 NPC1 (0.60) ALDH1A1RAF1BRAFMEN1KMT2A
SCHEMBL9713121 0.74 ALDH1A1 (0.56) ALDH1A1RAF1MAPK14BRAFMEN1

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-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
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 ALDH1A1 3113/4885RAF1 115/4885MAPK14 231/4885
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR ALDH1A1 620/4885RAF1 372/4885MAPK14 1436/4885
US-20050192314-A1 Urea derivatives as C-kit modulators KIT, PRKCH, PRKCE ALDH1A1 1512/4885RAF1 135/4885MAPK14 481/4885
US-20050267182-A1 Urea derivatives as FLT-3 modulators FLT4, FLT1, FLT3 ALDH1A1 1467/4885RAF1 338/4885MAPK14 1779/4885
US-20050197371-A1 Urea derivatives as PDGFR modulators PDGFRA, PDGFRB, PDGFA ALDH1A1 943/4885RAF1 636/4885MAPK14 1909/4885
US-20050165031-A1 Urea derivatives as ABL modulators ABL1, ABL2, BCR ALDH1A1 620/4885RAF1 372/4885MAPK14 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.