SCHEMBL17438899

SCHEMBL17438899

CC(C)n1cnc2cnc(Nc3ccnc(N4CCC5(CCN(S(C)(=O)=O)C5)C4)n3)cc21

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.59
CDK2 P24941 2/20 0.59
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
JAK2 O60674 1/20 0.44
KDR P35968 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL15749003 0.91 EGFR (0.62) EGFRCDK2JAK2KDRAURKB
SCHEMBL15749053 0.87 EGFR (0.68) EGFRCDK2JAK2KDRAURKB
SCHEMBL15749201 0.85 EGFR (0.64) EGFRCDK2JAK2KDRAURKB
SCHEMBL15748986 0.84 EGFR (0.63) EGFRCDK2JAK2KDRAURKB
SCHEMBL15749153 0.84 EGFR (0.64) EGFRCDK2JAK2KDRAURKB
SCHEMBL15749186 0.83 EGFR (0.63) EGFRCDK2JAK2KDRAURKB
SCHEMBL15748981 0.83 EGFR (0.68) EGFRCDK2JAK2KDRAURKB
SCHEMBL15749121 0.83 EGFR (0.61) EGFRCDK2JAK2KDRAURKB
SCHEMBL15749122 0.83 EGFR (0.61) EGFRCDK2JAK2KDRAURKB
SCHEMBL15749484 0.83 EGFR (0.61) EGFRCDK2JAK2KDRAURKB

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
US-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 US claimed
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

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 32/4885ALDH1A1 3324/4885

“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.