SCHEMBL17316628

SCHEMBL17316628

N#Cc1cnc(Cn2ccc(N)n2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.38
EGLN2 Q96KS0 8/20 0.35
ADORA2B P29275 3/20 0.35
HTT P42858 1/20 0.35
MET P08581 1/20 0.34
CDC7 O00311 2/20 0.33
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL12468488 0.82 L3MBTL1 (0.52) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL17316343 0.79 PKM (0.36) ALDH1A1MEN1KMT2A
SCHEMBL15164092 0.75 MEN1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL17316519 0.75 CACNA1H (0.47) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL17316571 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL17316299 0.72 L3MBTL1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL15164104 0.72 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL1860902 0.71 CYP19A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL17316576 0.70 L3MBTL1 (0.56) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL1065891 0.70 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AL3MBTL1TDP1

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 ALDH1A1 3435/4885MEN1 711/4885KMT2A 4227/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885MEN1 711/4885KMT2A 4227/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885MEN1 711/4885KMT2A 4227/4885

“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.