SCHEMBL13234896

SCHEMBL13234896

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3nc(N)nc4[nH]cnc34)cc2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.54
▸ NTRK3 Q16288 2/20 0.54
▸ NTRK2 Q16620 2/20 0.54
▸ MAPK14 Q16539 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ KDR P35968 4/20 0.52
▸ FLT3 P36888 9/20 0.52
▸ RET P07949 4/20 0.52
▸ BRAF P15056 2/20 0.51
▸ CSF1R P07333 3/20 0.51
▸ RAF1 P04049 3/20 0.51
▸ PDGFRB P09619 2/20 0.51
▸ KIT P10721 2/20 0.51
▸ PDGFRA P16234 2/20 0.51
▸ MAPK13 O15264 2/20 0.51
▸ MAPK12 P53778 2/20 0.51
▸ MAPK11 Q15759 2/20 0.51

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
SCHEMBL13234895 0.89 NTRK1 (0.54) NTRK1NTRK3NTRK2MAPK14MEN1
SCHEMBL13234898 0.87 NTRK1 (0.64) NTRK1NTRK3NTRK2MAPK14MEN1
SCHEMBL13200380 0.87 RET (0.63) NTRK1NTRK3NTRK2KDRFLT3
SCHEMBL1698822 0.78 MAPK14 (0.76) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL13234883 0.78 MAPK14 (0.62) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL13200212 0.76 RET (0.61) NTRK1NTRK3NTRK2KDRFLT3
SCHEMBL13200210 0.75 RET (0.74) NTRK1NTRK3NTRK2FLT3RET
SCHEMBL3762933 0.74 NTRK1 (0.61) NTRK1NTRK3NTRK2MAPK14MEN1
SCHEMBL13234368 0.73 MAPK14 (0.72) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL13234365 0.73 MAPK14 (0.72) MAPK14MEN1NPC1RAB9AKMT2A

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 4 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-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

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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR NTRK1 3986/4885NTRK3 3209/4885NTRK2 3806/4885

“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.

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