SCHEMBL18011056

SCHEMBL18011056

Nc1cccc(Nc2ncnn3ccc(C(=O)N4CCC(NC(=O)O)CC4)c23)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 12/20 0.58
▸ EGFR P00533 6/20 0.45
▸ ERBB2 P04626 6/20 0.45
▸ KDR P35968 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41

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
SCHEMBL16646783 0.87 AAK1 (0.55) AAK1EGFRERBB2
SCHEMBL18011052 0.83 EGFR (0.66) AAK1EGFRERBB2
SCHEMBL20184196 0.82 AAK1 (0.83) AAK1
SCHEMBL16646827 0.81 AAK1 (0.53) AAK1EGFRERBB2KDRAURKA
SCHEMBL18011042 0.78 AURKA (0.41) AAK1AURKAAURKB
SCHEMBL16637743 0.75 AAK1 (0.62) AAK1EGFR
SCHEMBL16636161 0.74 AAK1 (1.00) AAK1EGFRERBB2
SCHEMBL16636160 0.74 AAK1 (1.00) AAK1EGFRERBB2
SCHEMBL16646814 0.73 AAK1 (0.78) AAK1
SCHEMBL4821080 0.73 ERBB2 (0.67) AAK1EGFRERBB2KDR

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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