SCHEMBL7910099

SCHEMBL7910099

Cc1ccc(NC(=O)c2nc(C)cc(C#N)c2C)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 12/20 0.46
KMT2A Q03164 3/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HCRTR1 O43613 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7910093 0.89 TMPRSS4 (0.49) KMT2AHCRTR1GRM5MEN1
SCHEMBL7910092 0.88 RAB9A (0.50) RAB9AKDM4ENPC1KMT2AALDH1A1
SCHEMBL7910087 0.88 GRM5 (0.53) GRM5
SCHEMBL7900421 0.80 GRM5 (0.48) GRM5
SCHEMBL13148133 0.78 RAB9A (0.48) RAB9AMAPTKDM4ENPC1KMT2A
SCHEMBL3793552 0.77 GRM5 (0.58) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL7909702 0.77 RAB9A (0.51) RAB9AMAPTKDM4ENPC1KMT2A
SCHEMBL13148116 0.74 TMPRSS4 (0.46) KMT2AHCRTR1GRM5MEN1
SCHEMBL7908177 0.72 GRM5 (0.55) RAB9AMAPTNPC1KMT2AALDH1A1
SCHEMBL3099020 0.71 SMN1; SMN2 (0.38) KDM4EKMT2AALDH1A1SMN1; SMN2GAA

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 2626/4885MAPT 2506/4885KDM4E 1168/4885

“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.