SCHEMBL7899803

SCHEMBL7899803

Cc1cccc(NC(=O)c2cc(C#N)cc(C)n2)n1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.67
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
MAPT P10636 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL7898444 0.90 GRM5 (0.54) GRM5SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7907942 0.81 HSD11B1 (0.45) GRM5
SCHEMBL7910110 0.81 GRM5 (0.72) GRM5SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL3101805 0.81 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL7904713 0.81 TMPRSS4 (0.55) GRM5CYP1A2CYP2C9
SCHEMBL3860067 0.80 GRM5 (1.00) GRM5SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL1795107 0.80 GRM5 (0.70) GRM5SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7909702 0.80 RAB9A (0.51) GRM5SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7913781 0.80 ALDH1A1 (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL3788701 0.79 RXFP1 (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA

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 GRM5 6/4885SMN1; SMN2 2966/4885RAB9A 2626/4885

“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.