SCHEMBL15741015

SCHEMBL15741015

CC(Nc1cc(Br)ncc1N)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.32
UHRF1 Q96T88 1/20 0.31
IDH1 O75874 1/20 0.31
IDH2 P48735 1/20 0.31
EGFR P00533 1/20 0.30

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
SCHEMBL15740693 0.89 UHRF1 (0.30) UHRF1
SCHEMBL15740517 0.82 UHRF1 (0.35) UHRF1EGFR
SCHEMBL15740528 0.81 IDH1 (0.37) ABL1IDH1IDH2
SCHEMBL15749099 0.81 IDH1 (0.37) ABL1IDH1IDH2
SCHEMBL15749038 0.81 IDH1 (0.37) ABL1IDH1IDH2
SCHEMBL17438503 0.76 ALDH1A1 (0.36) UHRF1EGFR
SCHEMBL15749271 0.76 ALDH1A1 (0.36) UHRF1EGFR
SCHEMBL15749115 0.76 ALDH1A1 (0.36) UHRF1EGFR
SCHEMBL15740748 0.75 IDH1 (0.37) ABL1IDH1IDH2
SCHEMBL15740890 0.74 TLR8 (0.36) UHRF1EGFR

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 4 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 disclosed
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-01-21 US disclosed
EP-2922851-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2015-09-30 EP 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 ABL1 5/4885UHRF1 2167/4885IDH1 829/4885

“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.