SCHEMBL213189

SCHEMBL213189

CN(C)CCOc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.62
CHRNA4 P43681 2/20 0.62
MAPT P10636 4/20 0.56
ALDH1A1 P00352 6/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
KCNH2 Q12809 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL109773 0.89 MAPT (0.72) CHRNB2CHRNA4MAPTALDH1A1LMNA
SCHEMBL11420051 0.86 MAPT (0.62) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL24623020 0.86 MAPT (0.57) CHRNB2CHRNA4MAPTALDH1A1LMNA
SCHEMBL11545117 0.85 MAPT (0.60) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL11548169 0.85 MAPT (0.60) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL30344322 0.84 CHRNB2 (0.59) CHRNB2CHRNA4MAPTALDH1A1KDM4E
SCHEMBL311014 0.84 CHRNB2 (0.59) CHRNB2CHRNA4MAPTALDH1A1KDM4E
SCHEMBL13810171 0.84 MAPT (0.56) CHRNB2CHRNA4MAPTALDH1A1LMNA
SCHEMBL1277976 0.84 MAPT (0.78) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL9651479 0.84 MAPT (0.68) MAPTALDH1A1LMNAGAAMEN1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218703-A1 FGFR INHIBITORS FOR THE TREATMENT OF CANCER BRIDGENE BIOSCIENCES, INC. 2022-07-14 US 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-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
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-07-02 US disclosed
CN-110354128-A Pyrimidine FGFR4 inhibitors 卫材R&D管理有限公司 2019-10-22 CN disclosed
CN-105899490-B Pyrimidine FGFR4 Inhibitors 卫材R&D管理有限公司 2019-07-23 CN 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
WO-2015057938-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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 (4 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 CHRNB2 4577/4885CHRNA4 4875/4885MAPT 2138/4885
US-20220218703-A1 FGFR INHIBITORS FOR THE TREATMENT OF CANCER FGFR4, FGFR2, FGFR1 CHRNB2 4732/4885CHRNA4 4456/4885MAPT 3315/4885
US-10912774-B2 Pyrimidine FGFR4 inhibitors FGFR4, FGFR1, FGFR3 CHRNB2 4719/4885CHRNA4 4212/4885MAPT 3917/4885
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 CHRNB2 4719/4885CHRNA4 4212/4885MAPT 3917/4885

“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.