SCHEMBL166508

SCHEMBL166508

COc1ccc(Cn2ccc(N)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
CACNA1G O43497 3/20 0.49
CACNA1H O95180 3/20 0.49
CACNA1I Q9P0X4 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
CMA1 P23946 1/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL18096199 0.83 CACNA1G (0.49) ALDH1A1CACNA1GCACNA1HCACNA1IKDM4E
SCHEMBL19086943 0.81 ALDH1A1 (0.67) ALDH1A1TDP1L3MBTL1KDM4EMAPT
SCHEMBL3432522 0.81 CACNA1G (0.50) ALDH1A1CACNA1GCACNA1HCACNA1IL3MBTL1
SCHEMBL1196573 0.81 KDM4E (0.51) ALDH1A1CACNA1GCACNA1HCACNA1IL3MBTL1
SCHEMBL1860285 0.81 ALDH1A1 (0.66) ALDH1A1TDP1CACNA1GCACNA1HCACNA1I
SCHEMBL17316607 0.81 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1KDM4EMAPT
SCHEMBL1196571 0.80 CACNA1G (0.49) ALDH1A1CACNA1GCACNA1HCACNA1IKDM4E
SCHEMBL14896247 0.80 CACNA1G (0.49) ALDH1A1CACNA1GCACNA1HCACNA1IKDM4E
SCHEMBL17316395 0.80 ALDH1A1 (0.46) ALDH1A1TDP1CACNA1GCACNA1HCACNA1I
SCHEMBL17316552 0.80 L3MBTL1 (0.49) ALDH1A1TDP1CACNA1GCACNA1HCACNA1I

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116490505-A MNK inhibitors 和博医药有限公司 2023-07-25 CN disclosed
EP-4200296-A1 MNK INHIBITORS Hepagene Therapeutics (HK) Limited (HK) 2023-06-28 EP disclosed
WO-2022038563-A1 MNK INHIBITORS Hepagene Therapeutics (HK) Limited (CN) 2022-02-24 WO disclosed
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-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP 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
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
CN-102548984-A Inhibitors of PI3 kinase and / or MTOR AMGEN INC 2012-07-04 CN disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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 (5 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 3435/4885TDP1 2244/4885CACNA1G 3/4885
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD ALDH1A1 4256/4885TDP1 2999/4885CACNA1G 3104/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885TDP1 2244/4885CACNA1G 3/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885TDP1 2244/4885CACNA1G 3/4885
US-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 ALDH1A1 1567/4885TDP1 2660/4885CACNA1G 3569/4885

“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.