SCHEMBL2113219

SCHEMBL2113219

CC(Oc1ncc(NC(=O)c2cccnc2)cc1-c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ANO1 Q5XXA6 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL2113215 1.00 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AHTTMAPT
SCHEMBL2113276 0.86 AHR (0.44) SMN1; SMN2MEN1KMT2AHTTMAPT
SCHEMBL2113278 0.86 AHR (0.44) SMN1; SMN2MEN1KMT2AHTTMAPT
SCHEMBL2114487 0.84 KCNH2 (0.53) SMN1; SMN2MEN1KMT2AHTTMAPT
SCHEMBL2114290 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AHTTMAPT
SCHEMBL2114293 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AHTTMAPT
SCHEMBL2114328 0.81 PTGS2 (0.41) SMN1; SMN2MAPTNPSR1
SCHEMBL2114326 0.81 PTGS2 (0.41) SMN1; SMN2MAPTNPSR1
SCHEMBL2112990 0.79 CNR1 (0.56) SMN1; SMN2MEN1KMT2AHTTMAPT
SCHEMBL2114891 0.77 CNR1 (0.56) SMN1; SMN2MEN1KMT2AANO1RAB9A

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 4 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 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-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 SMN1; SMN2 3656/4885MEN1 1838/4885KMT2A 1813/4885

“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.