SCHEMBL15740952

SCHEMBL15740952

CC(=O)OCC(C)(C)Nc1cc(Br)ncc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 3/20 0.34
POLB P06746 2/20 0.34
MITF O75030 2/20 0.34
GALR2 O43603 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL15740616 0.83 ADRB2 (0.33) SMN1; SMN2ALDH1A1LMNAPOLBNPSR1
SCHEMBL15749743 0.81
SCHEMBL15740690 0.81 GABRP (0.31)
SCHEMBL15740612 0.81 LATS1 (0.35) SMN1; SMN2ALDH1A1LMNAPOLBKMT2A
SCHEMBL22468531 0.79 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1LMNAPOLBMITF
SCHEMBL15740545 0.78 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1LMNAPOLBGALR2
SCHEMBL15740541 0.78 HPGD (0.41) SMN1; SMN2ALDH1A1LMNAPOLBHPGD
SCHEMBL27227312 0.74 KMT2A (0.42) SMN1; SMN2LMNAPOLBKMT2AMAPK1
SCHEMBL22468521 0.74 L3MBTL1 (0.34) SMN1; SMN2ALDH1A1LMNAPOLBMITF
SCHEMBL22775634 0.73 PRMT1 (0.38) SMN1; SMN2MAPTNPC1NFKB1RAB9A

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 15 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
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
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
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 SMN1; SMN2 4396/4885ALDH1A1 3324/4885LMNA 4216/4885

“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.