SCHEMBL16665239

SCHEMBL16665239

CC(C)N1CCN(c2ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.46
ALDH1A1 P00352 11/20 0.46
HTT P42858 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 3/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 1/20 0.43
SIRT6 Q8N6T7 2/20 0.43
RECQL P46063 1/20 0.43
HTR6 P50406 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL979759 0.88 KMT2A (0.53) MAPTALDH1A1HTTLMNACYP1A2
SCHEMBL16653873 0.85 TP53 (0.47) MAPTALDH1A1KDM4ELMNASIRT6
SCHEMBL21588984 0.85 MAPT (0.55) MAPTALDH1A1HTTNPSR1KDM4E
SCHEMBL16654897 0.85 MAPT (0.49) MAPTALDH1A1HTTNPSR1KDM4E
SCHEMBL23606833 0.81 AAK1 (0.43) MAPTALDH1A1HTTKDM4ELMNA
SCHEMBL30043568 0.81 AAK1 (0.43) MAPTALDH1A1HTTKDM4ELMNA
SCHEMBL12466626 0.80 MAPT (0.63) MAPTALDH1A1SIRT6HTR6KMT2A
SCHEMBL29523841 0.80 MAPT (0.63) MAPTALDH1A1SIRT6HTR6KMT2A
SCHEMBL20995391 0.79 MAPT (0.42) MAPTALDH1A1HTTNPSR1KDM4E
SCHEMBL30745806 0.79 MAPT (0.42) MAPTALDH1A1HTTNPSR1KDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9730931-B2 Pyrimidine FGFR4 inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-15 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-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
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-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 (3 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 MAPT 3917/4885ALDH1A1 1012/4885HTT 4556/4885
US-20160130237-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 MAPT 3917/4885ALDH1A1 1012/4885HTT 4556/4885
US-20170007601-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 MAPT 3917/4885ALDH1A1 1012/4885HTT 4556/4885

“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.