SCHEMBL16654067

SCHEMBL16654067

CCN1CCN(c2ccc(-c3nc(N)cc(NC)n3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
MAPT P10636 12/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIRT6 Q8N6T7 1/20 0.40
GAA P10253 2/20 0.40
RAD52 P43351 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PTK2 Q05397 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4724629 0.79 GAA (0.50) MAPTGAARAD52ADORA2AADORA1
SCHEMBL21761895 0.77 MAPT (0.59) LMNAOPRM1OPRD1MAPTKMT2A
SCHEMBL16654429 0.75 GAA (0.61) LMNAOPRM1OPRD1MAPTALDH1A1
Hydrochloric Acid SCHEMBL28515207 0.74 GAA (0.59) LMNAOPRM1OPRD1MAPTALDH1A1
SCHEMBL17728855 0.73 AGPAT2 (0.33) LMNAMAPTALDH1A1KDM4EGFER
SCHEMBL13548708 0.73 MAPT (0.74) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL4772717 0.72 MAPT (0.72) LMNAOPRM1OPRD1MAPTALDH1A1
SCHEMBL16655629 0.72 MAPT (0.45) LMNAOPRM1OPRD1MAPTKMT2A
SCHEMBL2927491 0.71 GAA (0.55) LMNAOPRM1OPRD1MAPTALDH1A1
SCHEMBL3534675 0.70 MAPT (0.51) LMNAOPRM1OPRD1MAPTALDH1A1

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 19 patents. 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
US-10912774-B2 Pyrimidine FGFR4 inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-02-09 US disclosed
EP-3283465-B1 CRYSTALLINE FGFR4 INHIBITOR COMPOUND AND USES THEREOF EISAI R&D MAN CO LTD (JP) 2021-01-06 EP disclosed
US-20200317645-A1 CRYSTALLINE FGFR4 INHIBITOR COMPOUND AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-10-08 US disclosed
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-07-02 US disclosed
US-10562888-B2 Crystalline FGFR4 inhibitor compound and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-02-18 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-20180093972-A1 CRYSTALLINE FGFR4 INHIBITOR COMPOUND AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-04-05 US disclosed
EP-3283465-A1 CRYSTALLINE FGFR4 INHIBITOR COMPOUND AND USES THEREOF Eisai R&D Management Co., Ltd. (JP) 2018-02-21 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
WO-2016168331-A1 CRYSTALLINE FGFR4 INHIBITOR COMPOUND AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-20 WO 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-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 (8 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 LMNA 4607/4885OPRM1 4490/4885OPRD1 4329/4885
US-10912774-B2 Pyrimidine FGFR4 inhibitors FGFR4, FGFR1, FGFR3 LMNA 4607/4885OPRM1 4490/4885OPRD1 4329/4885
US-20160130237-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 LMNA 4607/4885OPRM1 4490/4885OPRD1 4329/4885
US-20180093972-A1 CRYSTALLINE FGFR4 INHIBITOR COMPOUND AND USES THEREOF FGFR4, FGFR1, FGFR3 LMNA 4605/4885OPRM1 4758/4885OPRD1 4835/4885
US-20200317645-A1 CRYSTALLINE FGFR4 INHIBITOR COMPOUND AND USES THEREOF FGFR4, FGFR1, FGFR3 LMNA 4503/4885OPRM1 4654/4885OPRD1 4790/4885
US-20170007601-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 LMNA 4607/4885OPRM1 4490/4885OPRD1 4329/4885
US-10562888-B2 Crystalline FGFR4 inhibitor compound and uses thereof FGFR4, FGFR1, FGFR3 LMNA 4605/4885OPRM1 4758/4885OPRD1 4835/4885
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 LMNA 4607/4885OPRM1 4490/4885OPRD1 4329/4885

“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.