SCHEMBL15749231

SCHEMBL15749231

CC(=O)N1CCN(c2nccc(Nc3cc4c(cn3)ncn4C(C)C)n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.73
CDK2 P24941 2/20 0.68
KDR P35968 2/20 0.50
ACHE P22303 2/20 0.50
JAK2 O60674 1/20 0.50
AURKB Q96GD4 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
SCHEMBL15748980 0.96 EGFR (0.69) EGFRCDK2KDRACHEJAK2
Formic Acid SCHEMBL19133896 0.96 EGFR (0.69) EGFRCDK2KDRACHEJAK2
SCHEMBL19133874 0.93 EGFR (0.73) EGFRCDK2KDRJAK2AURKB
SCHEMBL15749154 0.92 EGFR (0.77) EGFRCDK2KDRJAK2AURKB
SCHEMBL15749147 0.88 EGFR (0.67) EGFRCDK2KDRJAK2AURKB
SCHEMBL17447761 0.88 EGFR (0.67) EGFRCDK2KDRACHEJAK2
SCHEMBL15749552 0.86 EGFR (0.75) EGFRCDK2KDRJAK2AURKB
SCHEMBL19015206 0.85 EGFR (0.77) EGFRCDK2KDRJAK2AURKB
SCHEMBL15749053 0.85 EGFR (0.68) EGFRCDK2KDRJAK2AURKB
SCHEMBL17447758 0.85 EGFR (0.76) EGFRCDK2KDRJAK2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP claimed
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 EP disclosed
US-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 US disclosed
US-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 US disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP disclosed
EP-3181564-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2017-06-21 EP disclosed
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-01-21 US disclosed
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-01-21 US disclosed
WO-2014081718-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-05-30 WO 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-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS EGFR, ERBB2, ERBB3 EGFR 1/4885CDK2 32/4885KDR 90/4885

“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.