SCHEMBL7906320

SCHEMBL7906320

COc1cccc(NC(=O)c2cc(C#N)cc(C)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
THRB P10828 1/20 0.54
POLB P06746 1/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 2/20 0.53
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HIF1A Q16665 1/20 0.52
NLRP3 Q96P20 1/20 0.51
PKM P14618 1/20 0.51
SCN2A Q99250 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50
KCNK3 O14649 1/20 0.50

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 0.85 SMN1; SMN2 (0.52) GRM4KMT2AMEN1NPC1RAB9A
SCHEMBL7913781 0.84 ALDH1A1 (0.52) GRM4KMT2AMEN1THRBPOLB
SCHEMBL7913041 0.83 SMN1; SMN2 (0.58) GRM4KMT2APOLBNPC1RAB9A
SCHEMBL7906317 0.81 KMT2A (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7910114 0.79 LRRK2 (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL13148188 0.79 POLB (0.57) GRM4KMT2AMEN1THRBPOLB
SCHEMBL7909381 0.78 LRRK2 (0.57) GRM4KMT2AMEN1SCN2ASCN10A
SCHEMBL7898444 0.77 GRM5 (0.54) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7906315 0.77 NPC1 (0.56) GRM4NPC1RAB9ASMN1; SMN2
SCHEMBL7899803 0.77 GRM5 (0.67) POLBNPC1RAB9ASMN1; SMN2TP53

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 GRM4 7/4885KMT2A 652/4885MEN1 3737/4885

“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.