SCHEMBL2113486

SCHEMBL2113486

O=C(Nc1cnc(OCC(F)(F)F)c(Br)c1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TRPA1 O75762 1/20 0.51
KDR P35968 1/20 0.50
LMNA P02545 1/20 0.50
HIF1A Q16665 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KCNK3 O14649 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47

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
SCHEMBL2114476 0.87 ABL1 (0.41) TSHRKMT2AMEN1GRM5
SCHEMBL2117151 0.84 RAB9A (0.55) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL2115661 0.83 MEN1 (0.51) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL2113395 0.83 KMT2A (0.53) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL27923486 0.81 TDP1 (0.57) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL14761978 0.81 CRACR2A (0.50) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL2114487 0.81 KCNH2 (0.53) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL14762115 0.81 CRACR2A (0.49) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL2113428 0.80 MEN1 (0.53) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL2115920 0.80 SMN1; SMN2 (0.58) TSHRKMT2AMEN1NPC1RAB9A

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 8 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 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 TSHR 1631/4885KMT2A 1813/4885MEN1 1838/4885

“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.