SCHEMBL13847669

SCHEMBL13847669

CSc1ncnn2ccc(CN)c12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 13/20 0.40
AAK1 Q2M2I8 5/20 0.38
EGFR P00533 12/20 0.38
TTBK1 Q5TCY1 1/20 0.33
TTBK2 Q6IQ55 1/20 0.33
LCK P06239 1/20 0.32
KDR P35968 1/20 0.32
MAP4K4 O95819 1/20 0.30

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
SCHEMBL21561513 0.86 ERBB2 (0.41) ERBB2AAK1EGFRTTBK1TTBK2
SCHEMBL14017264 0.86 ERBB2 (0.38) ERBB2AAK1EGFRTTBK1TTBK2
SCHEMBL1220334 0.77 EGFR (0.43) ERBB2AAK1EGFRKDR
SCHEMBL12883243 0.76 ERBB2 (0.55) ERBB2AAK1EGFRLCKKDR
SCHEMBL4821294 0.71 MET (0.38) ERBB2AAK1EGFRTTBK1TTBK2
SCHEMBL4820542 0.70 ERBB2 (0.39) ERBB2AAK1EGFRTTBK1TTBK2
SCHEMBL15682806 0.65 MAP4K4 (0.55) AAK1EGFRKDRMAP4K4
SCHEMBL21561524 0.64
SCHEMBL18033869 0.62 EGFR (0.35) ERBB2EGFRLCKKDRMAP4K4
SCHEMBL23303602 0.61 KDM4E (0.38) ERBB2AAK1EGFRLCKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960403-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-05-27 EP disclosed
US-7348325-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007065100-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 WO disclosed
US-20070123534-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-31 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-20070123534-A1 Pyrrolotriazine kinase inhibitors MAP3K15, MAP3K5, STK25 ERBB2 138/4885AAK1 135/4885EGFR 908/4885

“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.