SCHEMBL4121990

SCHEMBL4121990

N#Cc1cccc(-c2nc(N)sc2-c2ccncn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.57
ADORA2B P29275 4/20 0.48
ADORA2A P29274 4/20 0.48
ADORA1 P30542 2/20 0.43
TGFBR1 P36897 1/20 0.43
CLK4 Q9HAZ1 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
PIK3CD O00329 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL4110516 0.83 ADORA2A (0.43) GRM5ADORA2AADORA1TGFBR1CLK4
SCHEMBL5203671 0.82 MAPK14 (0.48) TGFBR1CYP1A2CYP2C19CYP3A4ALOX15
SCHEMBL4102560 0.78 ADORA3 (0.63) GRM5ADORA2BADORA2AADORA1CLK4
SCHEMBL18889616 0.78 GRM5 (0.83) GRM5ADORA2BCLK4CYP1A2CYP2C19
SCHEMBL25365761 0.78 MAP4K4 (0.46) GRM5ADORA2AADORA1TGFBR1CLK4
SCHEMBL30520106 0.78 MAP4K4 (0.46) GRM5ADORA2AADORA1TGFBR1CLK4
SCHEMBL4103774 0.76 ADORA2A (0.45) ADORA2BADORA2AADORA1TGFBR1CLK4
SCHEMBL24227925 0.76 ADORA2A (0.47) ADORA2BADORA2AADORA1TGFBR1CLK4
SCHEMBL30552536 0.76 ADORA2A (0.47) ADORA2BADORA2AADORA1TGFBR1CLK4
SCHEMBL29381457 0.76 MAPT (0.50) ADORA2BADORA2AADORA1TGFBR1ADORA3

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-20090233938-A1 Thiazole derivatives as a2b antagonists NOVARTIS AG (CH) 2009-09-17 US disclosed
EP-1709036-B1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS NOVARTIS AG (CH) 2008-03-05 EP disclosed
EP-1709036-A1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS Novartis AG (CH) 2006-10-11 EP disclosed
WO-2005070926-A1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS NOVARTIS AG (CH) 2005-08-04 WO 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-20090233938-A1 Thiazole derivatives as a2b antagonists ADORA2B, ADRA2B, AGTR2 GRM5 1915/4885ADORA2B 1/4885ADORA2A 40/4885

“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.