SCHEMBL15740596

SCHEMBL15740596

C[C@H](Nc1cc(Cl)ncc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
FGFR4 P22455 1/20 0.36
CYP3A4 P08684 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
MAPT P10636 7/20 0.35
AHR P35869 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
IDH1 O75874 4/20 0.33
IDH2 P48735 3/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL15740626 1.00 ALDH1A1 (0.36) ALDH1A1FGFR4CYP3A4TDP1HPGD
SCHEMBL15740820 1.00 ALDH1A1 (0.36) ALDH1A1FGFR4CYP3A4TDP1HPGD
SCHEMBL15749403 0.86 IDH1 (0.33) IDH1IDH2
SCHEMBL15740561 0.84 MAPT (0.46) ALDH1A1CYP3A4HPGDMAPTAHR
SCHEMBL15740730 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1HPGDMAPT
SCHEMBL27039737 0.78 ALDH1A1 (0.36) ALDH1A1CYP3A4MAPTAHRGAA
SCHEMBL27039735 0.78 ALDH1A1 (0.36) ALDH1A1CYP3A4MAPTAHRGAA
SCHEMBL15740513 0.77 IDH1 (0.36) ALDH1A1CYP3A4MAPTAHRMEN1
SCHEMBL31661104 0.77 ALDH1A1 (0.41) ALDH1A1HPGDMAPTAHRGAA
SCHEMBL27039744 0.77 ALDH1A1 (0.41) ALDH1A1HPGDMAPTAHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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
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
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 ALDH1A1 3324/4885FGFR4 159/4885CYP3A4 3245/4885

“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.