SCHEMBL13755694

SCHEMBL13755694

CCCNC(=O)c1cn2ncnc(N(C(=O)OCCl)c3cc(C(=O)NC4CC4)ccc3C)c2c1C

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.63
▸ MAPK11 Q15759 2/20 0.63
▸ CYP3A4 P08684 1/20 0.63

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
SCHEMBL13755692 0.93 MAPK14 (0.63) MAPK14MAPK11CYP3A4
SCHEMBL14417142 0.91 MAPK14 (0.63) MAPK14MAPK11CYP3A4
SCHEMBL13755528 0.91 MAPK14 (0.62) MAPK14MAPK11CYP3A4
SCHEMBL13755510 0.91 MAPK14 (0.62) MAPK14MAPK11CYP3A4
SCHEMBL13755407 0.90 MAPK14 (0.62) MAPK14MAPK11CYP3A4
SCHEMBL13814363 0.90 MAPK14 (0.59) MAPK14MAPK11CYP3A4
SCHEMBL13755464 0.90 MAPK14 (0.61) MAPK14MAPK11CYP3A4
SCHEMBL13755701 0.90 MAPK14 (0.61) MAPK14MAPK11CYP3A4
SCHEMBL13755695 0.90 MAPK14 (0.61) MAPK14MAPK11CYP3A4
SCHEMBL14412366 0.90 MAPK14 (0.68) MAPK14MAPK11CYP3A4

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-7572795-B2 Pyrrolotriazine aniline prodrug compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 — — US disclosed
US-7572795-B2 Pyrrolotriazine aniline prodrug compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 — — US disclosed
US-20090156555-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-06-18 — — US disclosed
US-20090156555-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-06-18 — — US disclosed
WO-2007103839-A2 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 — — WO disclosed
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 — — US disclosed
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 — — 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 (2 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-20090156555-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS CDK2, CDK3, CDK1 MAPK14 369/4885MAPK11 232/4885CYP3A4 1228/4885
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS CDK2, CDK3, CDK1 MAPK14 371/4885MAPK11 245/4885CYP3A4 1305/4885

“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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