SCHEMBL13168501

SCHEMBL13168501

BNC(=O)c1cccc(Nc2ncnn3cc(CO)c(C)c23)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.52
MAPK14 Q16539 12/20 0.47
EGFR P00533 2/20 0.45
MAPK11 Q15759 1/20 0.45
ERBB2 P04626 1/20 0.44
AAK1 Q2M2I8 1/20 0.44

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
SCHEMBL12728720 0.89 KDR (0.53) KDRMAPK14EGFRERBB2AAK1
SCHEMBL13168502 0.84 MAPK14 (0.56) KDRMAPK14EGFRERBB2
SCHEMBL4052014 0.76 KDR (0.77) KDREGFR
SCHEMBL4047089 0.76 KDR (0.74) KDRMAPK14MAPK11
SCHEMBL14280415 0.75 MAPK14 (0.73) MAPK14MAPK11
SCHEMBL5739127 0.74 KDR (0.56) KDRMAPK14MAPK11
SCHEMBL12728722 0.73 KDR (0.62) KDRMAPK14EGFRMAPK11
SCHEMBL12728845 0.73 MAPK14 (0.62) MAPK14MAPK11
SCHEMBL4053778 0.72 KDR (0.78) KDRMAPK14EGFRERBB2
SCHEMBL13168503 0.72 MAP2K1 (0.69) KDRMAPK14EGFRERBB2AAK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-09-23 US disclosed
US-7759343-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-20 US disclosed
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-04-23 US disclosed
US-7462616-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-09 US disclosed
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-22 US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 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 (3 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-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors PLK2, CDK2, MAP3K15 KDR 490/4885MAPK14 219/4885EGFR 478/4885
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors PLK2, CDK2, MAP3K15 KDR 490/4885MAPK14 219/4885EGFR 478/4885
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS PLK2, CDK2, MAP3K15 KDR 490/4885MAPK14 219/4885EGFR 478/4885

“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.