SCHEMBL17316629

SCHEMBL17316629

Nc1ccn(Cc2ccc(C(F)(F)F)c(F)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KIF11 P52732 4/20 0.40
ADORA2A P29274 1/20 0.40
PTGER4 P35408 1/20 0.38
CACNA1G O43497 4/20 0.37
CACNA1H O95180 4/20 0.37
CACNA1I Q9P0X4 4/20 0.37
DAO P14920 1/20 0.36
DRD4 P21917 1/20 0.35
PDE2A O00408 1/20 0.35
CACNA1C Q13936 1/20 0.34
KDM1A O60341 1/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34

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
SCHEMBL17316676 0.83 L3MBTL1 (0.65) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL17316747 0.82 L3MBTL1 (0.52) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL17316817 0.80 L3MBTL1 (0.53) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL17316774 0.79 L3MBTL1 (0.60) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL17316838 0.79 ALDH1A1 (0.60) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL17316288 0.79 ALDH1A1 (0.49) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL2272722 0.79 L3MBTL1 (0.62) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL17316560 0.78 LMNA (0.45) ALDH1A1MEN1KMT2AKIF11PTGER4
SCHEMBL3440032 0.77 L3MBTL1 (0.53) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL3440024 0.77 L3MBTL1 (0.54) L3MBTL1ALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US disclosed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 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 (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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G L3MBTL1 3854/4885ALDH1A1 3435/4885TDP1 2244/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G L3MBTL1 3854/4885ALDH1A1 3435/4885TDP1 2244/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G L3MBTL1 3854/4885ALDH1A1 3435/4885TDP1 2244/4885

“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.