SCHEMBL16654154

SCHEMBL16654154

CC(C)(C)OC(=O)N(c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.38
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
S100A4 P26447 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
MAPK1 P28482 4/20 0.33
PKM P14618 2/20 0.33
RAB9A P51151 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 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
SCHEMBL16659605 0.87 HCAR3 (0.40) HCAR3ABCB1ABCC1S100A4TRPV1
SCHEMBL652037 0.84 HCAR3 (0.44) HCAR3ABCB1ABCC1S100A4TRPV1
SCHEMBL652038 0.84 HCAR3 (0.44) HCAR3ABCB1ABCC1S100A4TRPV1
SCHEMBL1067023 0.79 HCAR3 (0.34) HCAR3KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL28548604 0.79 ABCB1 (0.35) HCAR3ABCB1ABCC1S100A4TRPV1
SCHEMBL28811392 0.77 MAPK1 (0.42) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL24061209 0.76 HCAR3 (0.40) HCAR3KDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL1317836 0.74 ABCB1 (0.39) ABCB1ABCC1S100A4TRPV1KDM4E
SCHEMBL22114690 0.72 TSHR (0.46) HCAR3KDM4EALDH1A1GAA
SCHEMBL30032292 0.71 MAPT (0.41) ABCB1ABCC1SMN1; SMN2MAPTALDH1A1

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
CN-115772156-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2023-03-10 CN disclosed
EP-3421457-B1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MAN CO LTD (JP) 2021-10-06 EP disclosed
US-10912774-B2 Pyrimidine FGFR4 inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-02-09 US disclosed
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-07-02 US disclosed
WO-2020119606-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-18 WO disclosed
EP-3421457-A1 PYRIMIDINE FGFR4 INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2019-01-02 EP disclosed
EP-3057943-B1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MAN CO LTD (JP) 2018-04-25 EP disclosed
US-20170360785-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-12-21 US disclosed
US-9730931-B2 Pyrimidine FGFR4 inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-15 US disclosed
US-20170007601-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-01-12 US disclosed
US-9434697-B2 Pyrimidine FGFR4 inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-06 US disclosed
EP-3057943-A1 PYRIMIDINE FGFR4 INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 EP disclosed
US-20160130237-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-05-12 US disclosed
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
WO-2015057938-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 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 (5 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-20170360785-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 HCAR3 1433/4885ABCB1 561/4885ABCC1 819/4885
US-10912774-B2 Pyrimidine FGFR4 inhibitors FGFR4, FGFR1, FGFR3 HCAR3 1433/4885ABCB1 561/4885ABCC1 819/4885
US-20160130237-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 HCAR3 1433/4885ABCB1 561/4885ABCC1 819/4885
US-20170007601-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 HCAR3 1433/4885ABCB1 561/4885ABCC1 819/4885
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 HCAR3 1433/4885ABCB1 561/4885ABCC1 819/4885

“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.