SCHEMBL4242744

SCHEMBL4242744

FC(F)(F)c1cccc(CNc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.66
FFAR4 Q5NUL3 1/20 0.66
MAOB P27338 1/20 0.59
RXFP1 Q9HBX9 2/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 3/20 0.57
APP P05067 2/20 0.57
HPGD P15428 2/20 0.55
SLC2A1 P11166 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
CHEK1 O14757 1/20 0.52
DAPK3 O43293 1/20 0.52
ROCK2 O75116 1/20 0.52
RPS6KA5 O75582 1/20 0.52
CHEK2 O96017 1/20 0.52
ABL1 P00519 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52

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
SCHEMBL5605032 0.90 MAPT (0.62) FFAR1FFAR4MAOBRXFP1MEN1
SCHEMBL13078457 0.87 FFAR1 (0.55) FFAR1FFAR4MAOBMEN1KMT2A
SCHEMBL2881829 0.86 TACR1 (0.53) FFAR1FFAR4MAOB
SCHEMBL5226860 0.85 FFAR1 (0.61) FFAR1FFAR4RXFP1MEN1KMT2A
SCHEMBL5180466 0.85 FFAR1 (0.54) FFAR1FFAR4MAOBRXFP1MEN1
SCHEMBL5544937 0.85 FFAR1 (0.58) FFAR1FFAR4MAOBRXFP1APP
SCHEMBL631859 0.84 MEN1 (0.55) FFAR1FFAR4RXFP1MEN1KMT2A
SCHEMBL27816900 0.84 TSHR (0.56) FFAR1FFAR4MAOBRXFP1MEN1
SCHEMBL11235397 0.84 FFAR1 (0.70) FFAR1FFAR4RXFP1MEN1KMT2A
SCHEMBL10055021 0.82 NPSR1 (0.55) FFAR1FFAR4RXFP1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105793254-A Azaquinazoline carboxamide derivatives 默克专利有限公司 2016-07-20 CN disclosed
US-20090137653-A1 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE INFLAYZME PHARMACEUTICALS LTD. (CA) 2009-05-28 US disclosed
EP-1871357-A2 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE Inflazyme Pharmaceuticals, Ltd. (CA) 2008-01-02 EP disclosed
WO-2006108149-A2 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE INFLAZYME PHARMACEUTICALS LTD. (CA) 2006-10-12 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-20090137653-A1 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE CYP2A6, CYP2B6, CYP2D6 FFAR1 2374/4885FFAR4 1981/4885MAOB 28/4885

“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.