SCHEMBL1796508

SCHEMBL1796508

Cc1cc(-c2cc(F)cc(F)c2)nc(C#N)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.41
CTSS P25774 11/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL1509844 0.77 CTSK (0.62) CTSKCTSSADORA2AADORA1RAB9A
SCHEMBL1797145 0.76 ADORA2A (0.46) ADORA2AADORA1CYP11B1CYP11B2
SCHEMBL3568417 0.75 ALDH1A1 (0.50) CTSKCTSSADORA2AADORA1RAB9A
SCHEMBL2143294 0.74 KDM4E (0.45)
SCHEMBL3564110 0.74 CTSK (0.67) CTSKCTSS
SCHEMBL1796422 0.74 ADORA2A (0.45) ADORA2AADORA1
SCHEMBL1799136 0.69 KMO (0.46) ADORA2AADORA1
SCHEMBL21614634 0.67 KDM4E (0.39) CTSK
SCHEMBL23539690 0.66 CYP1A2 (0.42) RAB9A
SCHEMBL1187259 0.66 KDM4E (0.38) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US disclosed
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 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-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 CTSK 3890/4885CTSS 3649/4885ADORA2A 200/4885

“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.