SCHEMBL13234898

SCHEMBL13234898

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4[nH]cnc34)cc2)no1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.64
▸ NTRK3 Q16288 2/20 0.64
▸ NTRK2 Q16620 2/20 0.64
▸ RET P07949 7/20 0.61
▸ BRAF P15056 2/20 0.61
▸ FLT3 P36888 6/20 0.60
▸ KDR P35968 3/20 0.60
▸ RAF1 P04049 3/20 0.60
▸ MAPK13 O15264 2/20 0.60
▸ MAPK12 P53778 2/20 0.60
▸ MAPK11 Q15759 2/20 0.60
▸ MAP3K7 O43318 1/20 0.60
▸ CCNT1 O60563 1/20 0.60
▸ CSF1R P07333 1/20 0.60
▸ LYN P07948 1/20 0.60
▸ HCK P08631 1/20 0.60
▸ PDGFRB P09619 1/20 0.60
▸ KIT P10721 1/20 0.60
▸ FGFR1 P11362 1/20 0.60
▸ CDK4 P11802 1/20 0.60

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
SCHEMBL13234896 0.87 NTRK1 (0.54) NTRK1NTRK3NTRK2RETBRAF
SCHEMBL13200210 0.87 RET (0.74) NTRK1NTRK3NTRK2RETFLT3
SCHEMBL13234895 0.85 NTRK1 (0.54) NTRK1NTRK3NTRK2RETBRAF
SCHEMBL3762933 0.82 NTRK1 (0.61) NTRK1NTRK3NTRK2RETBRAF
SCHEMBL19646968 0.81 FLT3 (0.72) NTRK1NTRK3NTRK2RETBRAF
SCHEMBL28514347 0.78 NTRK3 (1.00) NTRK1NTRK3NTRK2RETBRAF
SCHEMBL1698822 0.78 MAPK14 (0.76) FLT3KDRRAF1MAPK13MAPK12
SCHEMBL13234663 0.76 BRAF (1.00) BRAFFLT3KDRRAF1KIT
SCHEMBL13234368 0.76 MAPK14 (0.72) RETFLT3KDRRAF1MAPK13
SCHEMBL13234365 0.76 MAPK14 (0.72) FLT3KDRRAF1MAPK13MAPK12

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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