SCHEMBL2113285

SCHEMBL2113285

Cc1cc(-c2cc(NC(=O)c3cccnn3)cnc2OCC(F)(F)F)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.42
BRAF P15056 4/20 0.42
RAF1 P04049 3/20 0.42
AHR P35869 1/20 0.41
CNR1 P21554 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
GRM4 Q14833 3/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
UGCG Q16739 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL2114461 0.92 KMT2A (0.45) KMT2AMEN1BRAFRAF1AHR
SCHEMBL2114614 0.88 CNR1 (0.49) KMT2AMEN1BRAFRAF1AHR
SCHEMBL2114247 0.87 MAPT (0.52) KMT2AMEN1BRAFMAPTL3MBTL1
SCHEMBL2115972 0.86 KMT2A (0.46) KMT2AMEN1BRAFRAF1AHR
SCHEMBL2115659 0.83 BRAF (0.39) BRAFRAF1CNR1PTGS2
SCHEMBL2111921 0.83 ABL1 (0.46) BRAFRAF1CNR1MAPTL3MBTL1
SCHEMBL2113413 0.82 RAF1 (0.42) BRAFRAF1CNR1
SCHEMBL2114568 0.80 AHR (0.47) KMT2AMEN1AHRCNR1GRM4
SCHEMBL2114482 0.80 NAMPT (0.44) KMT2AMEN1BRAFRAF1CNR1
SCHEMBL2113395 0.79 KMT2A (0.53) KMT2AMEN1AHRMAPTGRM4

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
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
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
EP-2627637-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 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
WO-2012049190-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 WO 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 KMT2A 1813/4885MEN1 1838/4885BRAF 3160/4885

“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.