SCHEMBL1220612

SCHEMBL1220612

NC1CCN(Cc2ccn3ncnc(Nc4cccc5cnccc45)c23)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 16/20 0.67
▸ EGFR P00533 15/20 0.67
▸ AAK1 Q2M2I8 4/20 0.58
▸ LCK P06239 1/20 0.54
▸ KDR P35968 1/20 0.54

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
Trifluoroacetic Acid SCHEMBL5626103 0.92 ERBB2 (0.58) ERBB2EGFRAAK1LCKKDR
SCHEMBL1218725 0.85 ERBB2 (0.70) ERBB2EGFRAAK1LCKKDR
SCHEMBL1219831 0.84 ERBB2 (0.69) ERBB2EGFRAAK1LCKKDR
SCHEMBL1220172 0.81 EGFR (0.72) ERBB2EGFRAAK1LCKKDR
SCHEMBL1220535 0.81 ERBB2 (0.82) ERBB2EGFRAAK1LCKKDR
SCHEMBL1220110 0.81 ERBB2 (0.73) ERBB2EGFRAAK1LCKKDR
SCHEMBL1218813 0.81 ERBB2 (1.00) ERBB2EGFRAAK1LCKKDR
SCHEMBL1218533 0.81 ERBB2 (0.68) ERBB2EGFRAAK1LCKKDR
SCHEMBL1219832 0.80 ERBB2 (0.77) ERBB2EGFRAAK1LCKKDR
SCHEMBL1219836 0.80 ERBB2 (0.70) ERBB2EGFRAAK1LCKKDR

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
EP-2058314-A1 Pyrrolotriazine compounds as kinase inhibitors Bristol-Myers Squibb Company (US) 2009-05-13 — — EP claimed
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
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-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 (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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 ERBB2 1/4885EGFR 4/4885AAK1 123/4885
US-20060264438-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 ERBB2 1/4885EGFR 4/4885AAK1 123/4885
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors ERBB2, ERBB4, ERBB3 ERBB2 1/4885EGFR 4/4885AAK1 123/4885

“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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