SCHEMBL1797145

SCHEMBL1797145

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.46
ADORA1 P30542 3/20 0.46
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
NPY5R Q15761 1/20 0.33
ADORA2B P29275 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PFKFB3 Q16875 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL8321136 0.82 RAD51 (0.43) ADORA2AADORA1ADORA2BPFKFB3MAOA
SCHEMBL1796422 0.82 ADORA2A (0.45) ADORA2AADORA1KMT2AADORA2B
SCHEMBL17051403 0.78 LMNA (0.42) ADORA2AADORA1KMT2ATSHRHSD17B10
SCHEMBL1799136 0.76 KMO (0.46) ADORA2AADORA1KMT2A
SCHEMBL1796508 0.76 CTSK (0.41) ADORA2AADORA1CYP11B1CYP11B2
SCHEMBL4778199 0.74 KMO (0.57) ADORA2ATSHR
SCHEMBL15262795 0.73 TSHR (0.32) KMT2ATSHRHSD17B10MAOAMAOB
SCHEMBL14970094 0.72 TSHR (0.56) ADORA2AADORA1KMT2AGAATSHR
SCHEMBL28255856 0.72 KDM4E (0.49) KMT2AMAOAMAOB
SCHEMBL1795166 0.72 ADORA2A (0.42) ADORA2AADORA1KMT2AGAA

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 ADORA2A 200/4885ADORA1 221/4885KMT2A 429/4885

“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.