SCHEMBL2115972

SCHEMBL2115972

CCc1ccc(-c2cc(NC(=O)c3cccnn3)cnc2OCC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTGS2 P35354 3/20 0.40
UGCG Q16739 1/20 0.40
CNR1 P21554 1/20 0.40
AHR P35869 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
RORC P51449 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
ABL1 P00519 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 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
SCHEMBL2114614 0.90 CNR1 (0.49) KMT2AMEN1PTGS2UGCGCNR1
SCHEMBL2113285 0.86 KMT2A (0.45) KMT2AMEN1PTGS2UGCGCNR1
SCHEMBL2115920 0.85 SMN1; SMN2 (0.58) KMT2AMEN1NPC1RAB9AUGCG
SCHEMBL2114461 0.85 KMT2A (0.45) KMT2AMEN1CNR1AHRABL1
SCHEMBL2113750 0.81 ABL1 (0.52) NPC1RAB9APTGS2UGCGCNR1
SCHEMBL2113395 0.81 KMT2A (0.53) KMT2AMEN1UGCGAHRMAPT
SCHEMBL2114568 0.80 AHR (0.47) KMT2AMEN1UGCGCNR1AHR
SCHEMBL2112441 0.79 CNR1 (0.52) KMT2AMEN1CNR1
SCHEMBL17866270 0.76 CNR1 (0.45) KMT2AMEN1NPC1RAB9APTGS2
SCHEMBL2113276 0.76 AHR (0.44) KMT2AMEN1NPC1RAB9APTGS2

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 11 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-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 EP claimed
WO-2012049190-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 WO 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 1838/4885NPC1 7/4885

“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.