SCHEMBL17316552

SCHEMBL17316552

Nc1ccn(Cc2ccc(OC(F)F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
CACNA1H O95180 4/20 0.48
CACNA1G O43497 2/20 0.48
CACNA1I Q9P0X4 2/20 0.48
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MBOAT4 Q96T53 1/20 0.38
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
CSF1R P07333 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
HPGD P15428 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL166508 0.80 ALDH1A1 (0.53) L3MBTL1CACNA1HCACNA1GCACNA1IALDH1A1
SCHEMBL17316720 0.79 CACNA1G (0.52) L3MBTL1CACNA1HCACNA1GCACNA1IALDH1A1
SCHEMBL2271144 0.77 L3MBTL1 (0.66) L3MBTL1CACNA1HCACNA1GCACNA1IALDH1A1
SCHEMBL17316305 0.76 CACNA1H (0.47) CACNA1HCACNA1GCACNA1IALDH1A1MEN1
SCHEMBL17316395 0.76 ALDH1A1 (0.46) L3MBTL1CACNA1HCACNA1GCACNA1IALDH1A1
SCHEMBL1569200 0.75 ALDH1A1 (0.54) L3MBTL1CACNA1HCACNA1GCACNA1IALDH1A1
SCHEMBL20421119 0.75 CACNA1H (0.49) CACNA1HCACNA1GCACNA1IALDH1A1MEN1
SCHEMBL28127692 0.74 MAPT (0.51) CACNA1HCACNA1GCACNA1ITDP1MEN1
SCHEMBL17316607 0.74 ALDH1A1 (0.57) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL1860285 0.74 ALDH1A1 (0.66) L3MBTL1CACNA1HCACNA1GCACNA1IALDH1A1

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 3854/4885CACNA1H 4/4885CACNA1G 3/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G L3MBTL1 3854/4885CACNA1H 4/4885CACNA1G 3/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G L3MBTL1 3854/4885CACNA1H 4/4885CACNA1G 3/4885

“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.