SCHEMBL7913041

SCHEMBL7913041

Cc1cc(C#N)cc(C(=O)Nc2cccc(F)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
LRRK2 Q5S007 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
GRM4 Q14833 1/20 0.49
GBA1 P04062 1/20 0.49
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3101805 0.88 SMN1; SMN2 (0.52) SMN1; SMN2LRRK2NPC1RAB9AGRM4
SCHEMBL7913781 0.86 ALDH1A1 (0.52) SMN1; SMN2LRRK2NPC1RAB9AGRM4
SCHEMBL7910114 0.86 LRRK2 (0.53) SMN1; SMN2LRRK2NPC1RAB9AKMT2A
SCHEMBL7906317 0.85 KMT2A (0.53) SMN1; SMN2NPC1RAB9ATSHRKMT2A
SCHEMBL7906315 0.84 NPC1 (0.56) SMN1; SMN2LRRK2NPC1RAB9AGRM4
SCHEMBL7906320 0.83 GRM4 (0.56) SMN1; SMN2NPC1RAB9AGRM4HPGD
SCHEMBL7909378 0.83 LRRK2 (0.52) SMN1; SMN2LRRK2NPC1RAB9AGRM4
SCHEMBL7913043 0.82 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AGBA1TSHR
SCHEMBL7900427 0.82 KMT2A (0.54) SMN1; SMN2LRRK2NPC1RAB9ATSHR
SCHEMBL7899805 0.82 LRRK2 (0.54) SMN1; SMN2LRRK2NPC1RAB9AGRM4

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 SMN1; SMN2 2966/4885LRRK2 1918/4885NPC1 4161/4885

“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.