SCHEMBL13698122

SCHEMBL13698122

COC(=O)c1cn2ncnc(C3C(=O)Nc4ncccc43)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.46
MAPK14 Q16539 9/20 0.44
MAP2K1 Q02750 1/20 0.37

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
SCHEMBL4048478 0.86 KDR (0.47) KDRMAPK14MAP2K1
SCHEMBL13698120 0.83 KDR (0.44) KDRMAPK14
SCHEMBL14452006 0.79 MAPK14 (0.52) KDRMAPK14
SCHEMBL14452005 0.79 MAPK14 (0.52) KDRMAPK14
SCHEMBL4047341 0.79 MAPK14 (0.52) KDRMAPK14
SCHEMBL4043424 0.79 MAPK14 (0.57) KDRMAPK14
SCHEMBL1459902 0.78 KDR (0.46) KDRMAPK14
SCHEMBL4048222 0.77 KDR (0.43) KDRMAPK14MAP2K1
SCHEMBL4047091 0.77 KDR (0.44) KDRMAPK14
SCHEMBL4049401 0.77 KDR (0.47) KDRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 US disclosed
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 US disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 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-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 KDR 3537/4885MAPK14 29/4885MAP2K1 63/4885

“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.