SCHEMBL2113753

SCHEMBL2113753

Cc1nc(C)c(C(=O)Nc2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 6/20 0.47
TSHR P16473 3/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 5/20 0.45
USP2 O75604 3/20 0.45
POLB P06746 3/20 0.45
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
BRAF P15056 8/20 0.39
RAF1 P04049 7/20 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

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
SCHEMBL17866273 0.86 CNR1 (0.44) CNR1ALDH1A1SMN1; SMN2MAPTPTGS2
SCHEMBL2112615 0.84 CNR1 (0.51) CNR1ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL2112797 0.83 CNR1 (0.49) CNR1ALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL2113240 0.83 CNR1 (0.47) CNR1ALDH1A1LMNAMAPTMEN1
SCHEMBL2115045 0.83 CNR1 (0.47) CNR1PTGS2BRAFRAF1KCNH2
SCHEMBL2115870 0.82 CNR1 (0.56) CNR1ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL2114245 0.82 CNR1 (0.50) CNR1SMN1; SMN2MAPTPTGS2MEN1
SCHEMBL2113379 0.81 KDM4E (0.55) CNR1PTGS2KDM4EBRAFRAF1
SCHEMBL2114624 0.81 CNR1 (0.48) CNR1TSHRPTGS2BRAFRAF1
SCHEMBL2113414 0.81 CNR1 (0.54) CNR1MAPTPTGS2KDM4EKCNH2

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 5 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-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 68/4885ALDH1A1 1510/4885TSHR 1631/4885

“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.