SCHEMBL2949650

SCHEMBL2949650

COc1ccc(C(=N)NO)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.57
▸ HPGDS O60760 1/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CDC25B P30305 3/20 0.50
▸ MAPT P10636 4/20 0.48
▸ CYP2C9 P11712 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ STAT6 P42226 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ EP300 Q09472 1/20 0.44
▸ KAT8 Q9H7Z6 1/20 0.44
▸ IMPDH2 P12268 1/20 0.42
▸ IMPDH1 P20839 1/20 0.42

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
SCHEMBL31315042 0.79 PLK1 (0.76) PLK1HPGDSKMT2AHPGDCDC25B
SCHEMBL24101354 0.79 PLK1 (0.70) PLK1HPGDSKMT2AHPGDCDC25B
SCHEMBL2775341 0.78 LMNA (0.51) KMT2ALMNA
SCHEMBL10596017 0.75 PLK1 (0.56) PLK1HPGDSKMT2AHPGDCDC25B
SCHEMBL7558028 0.75 CDC25B (0.69) PLK1HPGDSKMT2AHPGDCDC25B
SCHEMBL29380721 0.74 IDO1 (0.73) PLK1HPGDSKMT2AHPGDCDC25B
SCHEMBL419307 0.74 IDO1 (0.73) PLK1HPGDSKMT2AHPGDCDC25B
SCHEMBL7842295 0.73 PLK1 (0.67) PLK1HPGDSKMT2AHPGDCDC25B
SCHEMBL4518755 0.73 PLK1 (0.67) PLK1HPGDSKMT2AHPGDCDC25B
SCHEMBL4469856 0.73 CDC25B (0.78) PLK1HPGDSKMT2AHPGDCDC25B

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 7 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-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 PLK1 106/4885HPGDS 1465/4885KMT2A 1390/4885
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR PLK1 1190/4885HPGDS 772/4885KMT2A 285/4885
US-20050192314-A1 Urea derivatives as C-kit modulators KIT, PRKCH, PRKCE PLK1 928/4885HPGDS 1024/4885KMT2A 639/4885
US-20050267182-A1 Urea derivatives as FLT-3 modulators FLT4, FLT1, FLT3 PLK1 371/4885HPGDS 760/4885KMT2A 1637/4885
US-20050197371-A1 Urea derivatives as PDGFR modulators PDGFRA, PDGFRB, PDGFA PLK1 730/4885HPGDS 92/4885KMT2A 2832/4885
US-20050165031-A1 Urea derivatives as ABL modulators ABL1, ABL2, BCR PLK1 1190/4885HPGDS 772/4885KMT2A 285/4885

“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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