SCHEMBL16654065

SCHEMBL16654065

O=[N+]([O-])c1ccccc1Nc1cc(NCc2cccnc2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
CYP1A2 P05177 7/20 0.51
CYP3A4 P08684 7/20 0.51
CLK4 Q9HAZ1 4/20 0.51
HSD17B10 Q99714 4/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 4/20 0.50
MAPT P10636 6/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.49
HTT P42858 2/20 0.49
HTR6 P50406 2/20 0.48
GAA P10253 2/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALOX15 P16050 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL16655995 0.88 MAPT (0.47) ALDH1A1CYP1A2CYP3A4CLK4HSD17B10
SCHEMBL9540575 0.82 MAPT (0.63) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL28613042 0.76 EGFR (0.50) ALDH1A1MAPTPKMHTTGAA
SCHEMBL16654895 0.75 MAPT (0.55) ALDH1A1MAPTPKMGAAKDM4E
SCHEMBL26922924 0.75 CDK5 (0.59) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL29996285 0.75 CDK5 (0.59) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL7778637 0.73 ALDH1A1 (0.54) ALDH1A1MAPTLMNAPKMGAA
SCHEMBL4936233 0.73 MAPT (0.56) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL16653896 0.72 CDK4 (0.55) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL28523405 0.72 EPAS1 (0.52) ALDH1A1MAPTLMNAPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3421457-B1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MAN CO LTD (JP) 2021-10-06 EP 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
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-20170360785-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-12-21 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
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
US-20160130237-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-05-12 US disclosed
WO-2015057938-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO 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
WO-2015057963-A1 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 ALDH1A1 1012/4885CYP1A2 2976/4885CYP3A4 929/4885
US-10912774-B2 Pyrimidine FGFR4 inhibitors FGFR4, FGFR1, FGFR3 ALDH1A1 1012/4885CYP1A2 2976/4885CYP3A4 929/4885
US-20160130237-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 ALDH1A1 1012/4885CYP1A2 2976/4885CYP3A4 929/4885
US-20170007601-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 ALDH1A1 1012/4885CYP1A2 2976/4885CYP3A4 929/4885
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 ALDH1A1 1012/4885CYP1A2 2976/4885CYP3A4 929/4885

“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.