SCHEMBL17125404

SCHEMBL17125404

C=C(O)c1ccc(-c2ccn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 5/20 0.44
CYP1A2 P05177 3/20 0.44
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GCGR P47871 3/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 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
SCHEMBL181851 0.88 GCGR (0.47) SCN5ACYP1A2MAPTMAPK1KDM4E
SCHEMBL19121067 0.84 SCN5A (0.47) SCN5ACYP1A2MAPTMAPK1KDM4E
SCHEMBL16906745 0.84 ABL1 (0.51) SCN5ACYP1A2MAPTMAPK1KDM4E
SCHEMBL17125357 0.84 ADORA3 (0.46) SCN5ACYP1A2MAPTMAPK1KDM4E
SCHEMBL17125402 0.83 RAB9A (0.48) MAPTKDM4EL3MBTL1CA1CA2
SCHEMBL14576131 0.79 NPC1 (0.40) SCN5ACYP1A2MAPTMAPK1KDM4E
SCHEMBL182081 0.77 MRGPRX4 (0.49) MAPTMAPK1KDM4EGAANPC1
SCHEMBL182599 0.76 MRGPRX4 (0.48) SCN5AGAAGCGRNPC1RAB9A
SCHEMBL17125341 0.74 DYRK1A (0.45) MAPTMAPK1KDM4E
SCHEMBL2708402 0.72 ABL1 (0.51) SCN5ACYP1A2MAPTMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US 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 (1 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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL SCN5A 288/4885CYP1A2 2031/4885MAPT 2391/4885

“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.