SCHEMBL10299147

SCHEMBL10299147

CCc1nc2c(C)c(CC)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.44
ADORA1 P30542 4/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 2/20 0.41
GAA P10253 3/20 0.39
HTT P42858 1/20 0.39
CHEK1 O14757 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
RPS6KA3 P51812 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL28193908 0.88 HTT (0.40) DDAH1ADORA1ADORA3ADORA2AGAA
SCHEMBL10299142 0.84 ADRB2 (0.44) ADORA1ADORA3ADORA2AHTTALDH1A1
SCHEMBL9847093 0.84 CBFB (0.46) DDAH1ADORA1ADORA3ADORA2AGAA
SCHEMBL12402507 0.78 HSD17B10 (0.38) ALDH1A1RPS6KA3EGLN1
SCHEMBL2899660 0.76 DDAH1 (0.55) DDAH1ADORA1ADORA3ADORA2AGAA
SCHEMBL18966965 0.74 DDAH1 (0.43) DDAH1ADORA1ADORA3ADORA2AGAA
SCHEMBL28193851 0.73 HTT (0.34) HTTALDH1A1SMN1; SMN2
SCHEMBL4919548 0.73 DDAH1 (0.55) DDAH1GAAALDH1A1
SCHEMBL30518181 0.73 DDAH1 (0.55) DDAH1GAAALDH1A1
SCHEMBL3968950 0.72 DDAH1 (0.50) DDAH1ADORA1ADORA3ADORA2AGAA

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
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 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 (2 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-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DDAH1 1418/4885ADORA1 4344/4885ADORA3 4065/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DDAH1 1418/4885ADORA1 4344/4885ADORA3 4065/4885

“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.