SCHEMBL2113763

SCHEMBL2113763

Cc1nn(C)cc1C(=O)Nc1cnc(OCC(F)(F)F)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
ATM Q13315 1/20 0.47
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NR3C1 P04150 1/20 0.43
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
GAA P10253 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
NTRK1 P04629 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALPL P05186 1/20 0.38
XPO1 O14980 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
SCHEMBL2113765 0.82 LMNA (0.50) NAMPTRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2114482 0.80 NAMPT (0.44) NAMPTRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2114476 0.76 ABL1 (0.41) MEN1KMT2ABRAFJUNNFKB1
SCHEMBL2113486 0.73 TSHR (0.55) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2113395 0.72 KMT2A (0.53) MAPTSMN1; SMN2MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL28390263 0.70 APP (0.41) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL12921935 0.69 ATM (0.69) NAMPTATMRAB9ANPC1MAPT
SCHEMBL17866285 0.68 CNR1 (0.44) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL30862546 0.67 NOTUM (0.50) ATMKMT2AGAAALDH1A1LMNA
SCHEMBL440238 0.67 NOTUM (0.50) ATMKMT2AGAAALDH1A1LMNA

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 5 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
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

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 NAMPT 525/4885ATM 3659/4885RAB9A 3480/4885

“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.