SCHEMBL313311

SCHEMBL313311

Cc1cc(-c2ccc(C(F)(F)F)cc2)cnc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.55
KIF11 P52732 4/20 0.48
CLK1 P49759 1/20 0.48
KCNH2 Q12809 4/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PIK3CA P42336 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
CA12 O43570 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
SCHEMBL312412 0.81 MAP4K4 (0.56) MAP4K4KIF11CLK1KCNH2PIK3CA
SCHEMBL29981431 0.80 MAP4K4 (0.61) MAP4K4CLK1KDM4EALDH1A1PIK3CA
SCHEMBL28883695 0.80 MAP4K4 (0.61) MAP4K4CLK1KDM4EALDH1A1PIK3CA
SCHEMBL18263155 0.80 MAP4K4 (0.58) MAP4K4KIF11CLK1KCNH2PIK3CA
SCHEMBL1348639 0.80 MAP4K4 (0.55) MAP4K4KIF11CLK1KCNH2KDM4E
SCHEMBL29704112 0.80 NOS3 (0.56) MAP4K4KDM4EALDH1A1LMNACYP1A2
SCHEMBL6985744 0.80 NOS3 (0.56) MAP4K4KDM4EALDH1A1LMNACYP1A2
SCHEMBL23283131 0.78 KIF11 (0.50) MAP4K4KIF11CLK1KCNH2KDM4E
SCHEMBL313209 0.77 MAP4K4 (0.58) MAP4K4KCNH2CYP1A2MINK1NOS3
SCHEMBL29559908 0.77 MAP4K4 (0.39) MAP4K4KCNH2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182445-A1 MODULATORS OF TREK (TWIK RELATED K+ CHANNELS) CHANNEL FUNCTION ONO PHARMACEUTICAL CO., LTD. (JP) 2024-06-06 US disclosed
EP-4048659-A1 MODULATORS OF TREK (TWIK RELATED K+ CHANNELS) CHANNEL FUNCTION ONO Pharmaceutical Co., Ltd. (JP) 2022-08-31 EP disclosed
WO-2021080015-A1 MODULATORS OF TREK (TWIK RELATED K+ CHANNELS) CHANNEL FUNCTION ONO PHARMACEUTICAL CO., LTD. (JP) 2021-04-29 WO disclosed
WO-2021080015-A1 MODULATORS OF TREK (TWIK RELATED K+ CHANNELS) CHANNEL FUNCTION ONO PHARMACEUTICAL CO., LTD. (JP) 2021-04-29 WO disclosed
US-8349844-B2 Substituted pyrazolo [1,5-A] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GATTI MCARTHUR SILVIA (CH) 2012-02-16 US disclosed
US-8093263-B2 Substituted pyrazolo [1,5-a] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-1934214-B1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-04-07 EP disclosed
US-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS MCARTHUR SILVIA GATTI 2009-06-04 US disclosed
US-7504404-B2 Compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-03-17 US disclosed
EP-1934214-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039439-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. 2007-03-29 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 (4 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-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 MAP4K4 2097/4885KIF11 1243/4885CLK1 3230/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 MAP4K4 2097/4885KIF11 1243/4885CLK1 3230/4885
US-20240182445-A1 MODULATORS OF TREK (TWIK RELATED K+ CHANNELS) CHANNEL FUNCTION KCNJ11, KCNJ1, KCNJ2 MAP4K4 569/4885KIF11 2174/4885CLK1 293/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 MAP4K4 2409/4885KIF11 1593/4885CLK1 3304/4885

“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.