SCHEMBL2114650

SCHEMBL2114650

Cc1nnsc1C(=O)Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 3/20 0.45
CRACR2A Q9BSW2 3/20 0.44
TRPC3 Q13507 1/20 0.43
ORAI1 Q96D31 1/20 0.43
TRPC5 Q9UL62 1/20 0.43
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL17866274 0.86 CNR1 (0.44) CNR1LMNAPTGS2MAPTHTT
SCHEMBL2114245 0.83 CNR1 (0.50) CNR1PTGS2MAPTKCNH2SCN5A
SCHEMBL2115870 0.81 CNR1 (0.56) CNR1POLBLMNAGAAPTGS2
SCHEMBL2114624 0.81 CNR1 (0.48) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL2113753 0.81 CNR1 (0.48) CNR1POLBLMNAUSP2PTGS2
SCHEMBL2114642 0.80 CNR1 (0.49) CNR1PTGS2MAPTKCNH2SCN5A
SCHEMBL2113414 0.80 CNR1 (0.54) CNR1PTGS2MAPTKCNH2SCN5A
SCHEMBL2112797 0.80 CNR1 (0.49) CNR1LMNAGAAPTGS2MAPT
SCHEMBL2113240 0.80 CNR1 (0.47) CNR1LMNACRACR2AGAAMAPT
SCHEMBL2113765 0.80 LMNA (0.50) CNR1POLBLMNAGAAPTGS2

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
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 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 (1 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-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES APOB, CETP, NPC1L1 CNR1 68/4885POLB 3874/4885LMNA 76/4885

“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.