SCHEMBL2113765

SCHEMBL2113765

Cc1nn(C)cc1C(=O)Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 3/20 0.49
CNR1 P21554 1/20 0.47
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
NR3C1 P04150 3/20 0.45
RAF1 P04049 2/20 0.44
BRAF P15056 2/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SSTR2 P30874 1/20 0.41
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CSNK1D P48730 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
SCHEMBL2114482 0.90 NAMPT (0.44) LMNAPOLBMAPTCNR1NAMPT
SCHEMBL17866285 0.87 CNR1 (0.44) LMNAPOLBMAPTCNR1ALDH1A1
SCHEMBL2113272 0.85 CNR1 (0.49) LMNAPOLBMAPTCNR1NR3C1
SCHEMBL2114624 0.84 CNR1 (0.48) CNR1RAF1BRAFNPC1PTGS2
SCHEMBL2113283 0.84 CNR1 (0.48) LMNAPOLBMAPTCNR1ALDH1A1
SCHEMBL2115045 0.84 CNR1 (0.47) CNR1NR3C1RAF1BRAFPTGS2
SCHEMBL2112015 0.83 CNR1 (0.49) CNR1NR3C1PTGS2KMT2ASCN5A
SCHEMBL2113763 0.82 NAMPT (0.49) LMNAPOLBMAPTNAMPTALDH1A1
SCHEMBL2115870 0.81 CNR1 (0.56) LMNAPOLBMAPTCNR1ALDH1A1
SCHEMBL2113429 0.81 CNR1 (0.50) LMNAMAPTCNR1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US claimed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US claimed
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 LMNA 76/4885POLB 3874/4885MAPT 3637/4885

“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.