SCHEMBL2117151

SCHEMBL2117151

O=C(Nc1cnc(OCC(F)(F)F)c(-c2ccccc2)c1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
TSHR P16473 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KCNK3 O14649 1/20 0.51
EPHX2 P34913 3/20 0.49
TRPA1 O75762 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HIF1A Q16665 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL2115661 0.93 MEN1 (0.51) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL2114487 0.91 KCNH2 (0.53) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL2115920 0.89 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL2113428 0.89 MEN1 (0.53) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL27923486 0.89 TDP1 (0.57) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL2113550 0.87 RAB9A (0.55) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL2113273 0.86 L3MBTL1 (0.59) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL2111927 0.86 L3MBTL1 (0.51) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL2114838 0.85 CNR1 (0.55) MEN1KMT2A
SCHEMBL2114247 0.85 MAPT (0.52) RAB9ASMN1; SMN2NPC1TSHRMEN1

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 13 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
CN-103153957-B N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMAN-LA ROCHE LTD. (CH) 2016-01-20 CN claimed
CN-103153957-A N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN LA ROCHE 2013-06-12 CN 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
CN-103153957-B N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMAN-LA ROCHE LTD. (CH) 2016-01-20 CN 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
CN-103153957-A N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN LA ROCHE 2013-06-12 CN 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 RAB9A 3480/4885SMN1; SMN2 3656/4885NPC1 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.