SCHEMBL1220105

SCHEMBL1220105

CSc1ncnn2ccc(COCC3CN(C(=O)OC(C)(C)C)CCO3)c12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.42
ERBB2 P04626 4/20 0.39
EPHB4 P54760 1/20 0.39
EGFR P00533 3/20 0.36
GPR119 Q8TDV5 2/20 0.35
RET P07949 2/20 0.34
CSF1R P07333 1/20 0.34
P2RX3 P56373 3/20 0.34
P2RX2 Q9UBL9 3/20 0.34
AAK1 Q2M2I8 2/20 0.34
PDK1 Q15118 2/20 0.33

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
SCHEMBL12883672 1.00 EPHA2 (0.42) EPHA2ERBB2EPHB4EGFRGPR119
SCHEMBL14367954 0.83 ERBB2 (0.50) EPHA2ERBB2EPHB4EGFRRET
SCHEMBL13709099 0.79 ERBB2 (0.40) EPHA2ERBB2EPHB4EGFRRET
SCHEMBL12883679 0.79 ERBB2 (0.53) EPHA2ERBB2EPHB4EGFRAAK1
SCHEMBL1219643 0.79 ERBB2 (0.53) EPHA2ERBB2EPHB4EGFRAAK1
SCHEMBL21069485 0.73 EPHA2 (0.52) EPHA2ERBB2EPHB4GPR119P2RX3
SCHEMBL306377 0.72 JAK2 (0.46) EPHA2ERBB2EPHB4GPR119PDK1
SCHEMBL306376 0.72 JAK2 (0.46) EPHA2ERBB2EPHB4GPR119PDK1
SCHEMBL969537 0.72 JAK2 (0.46) EPHA2ERBB2EPHB4GPR119PDK1
SCHEMBL21069408 0.69 EPHA2 (0.41) EPHA2ERBB2EPHB4GPR119CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
EP-1699797-B1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-09-23 EP disclosed
EP-2058314-A1 Pyrrolotriazine compounds as kinase inhibitors Bristol-Myers Squibb Company (US) 2009-05-13 EP disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-7141571-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 US disclosed
US-20060264438-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-23 US disclosed
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-18 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 (4 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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 EPHA2 1188/4885ERBB2 1/4885EPHB4 1456/4885
US-20060264438-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 EPHA2 1188/4885ERBB2 1/4885EPHB4 1456/4885
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors ERBB2, ERBB4, ERBB3 EPHA2 1188/4885ERBB2 1/4885EPHB4 1456/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 EPHA2 1188/4885ERBB2 1/4885EPHB4 1456/4885

“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.