SCHEMBL18011053

SCHEMBL18011053

N#Cc1ccc(F)c(Nc2ncnn3ccc(CN4CCC(NC(=O)O)CC4)c23)c1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.80
▸ EGFR P00533 13/20 0.50
▸ ERBB2 P04626 13/20 0.50
▸ LCK P06239 1/20 0.50
▸ KDR P35968 1/20 0.50

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
SCHEMBL16646788 0.89 AAK1 (1.00) AAK1EGFRERBB2LCKKDR
SCHEMBL4341416 0.88 AAK1 (0.66) AAK1EGFRERBB2LCKKDR
SCHEMBL4322112 0.88 AAK1 (0.66) AAK1EGFRERBB2LCKKDR
SCHEMBL18011043 0.86 AAK1 (0.80) AAK1EGFRERBB2LCKKDR
SCHEMBL18011059 0.84 AAK1 (0.59) AAK1EGFRERBB2LCKKDR
SCHEMBL1220113 0.82 AAK1 (0.66) AAK1EGFRERBB2LCKKDR
SCHEMBL1219499 0.82 AAK1 (0.66) AAK1EGFRERBB2LCKKDR
SCHEMBL1219503 0.82 AAK1 (0.66) AAK1EGFRERBB2LCKKDR
SCHEMBL18011048 0.79 AAK1 (0.69) AAK1
SCHEMBL4821080 0.79 ERBB2 (0.67) AAK1EGFRERBB2LCKKDR

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
EP-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 — — EP disclosed
US-9737542-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 — — 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-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS AAK1, DAPK2, DAPK1 AAK1 1/4885EGFR 2422/4885ERBB2 373/4885

“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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