SCHEMBL7909702

SCHEMBL7909702

Cc1ccc(NC(=O)c2cc(C#N)cc(C)n2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
MAPT P10636 3/20 0.51
HCRTR1 O43613 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GRM5 P41594 4/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
MEN1 O00255 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 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
SCHEMBL7904713 0.91 TMPRSS4 (0.55) GRM5KMT2AMEN1CYP1A2CYP2C9
SCHEMBL7909685 0.89 CYP3A4 (0.59) RAB9ANPC1TP53NFKB1NFKB2
SCHEMBL7903362 0.88 GRM5 (0.66) GRM5CYP1A2CYP2C9CYP3A4KCNH2
SCHEMBL7906021 0.82 ALDH1A1 (0.60) RAB9ANPC1MAPTHCRTR1TP53
SCHEMBL7899803 0.80 GRM5 (0.67) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL7907942 0.79 HSD11B1 (0.45) GRM5KCNH2
SCHEMBL13148044 0.79 TMPRSS4 (0.50) GRM5KMT2AMEN1CYP1A2CYP2C9
SCHEMBL13148041 0.79 RAB9A (0.52) RAB9ANPC1MAPTHCRTR1TP53
SCHEMBL7898444 0.78 GRM5 (0.54) RAB9ANPC1SMN1; SMN2GRM5ALDH1A1
SCHEMBL1792869 0.77 GRM5 (0.53) GRM5CYP1A2CYP2C9CYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 RAB9A 2626/4885NPC1 4161/4885MAPT 2506/4885

“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.