SCHEMBL10299142

SCHEMBL10299142

CCc1ccc2[nH]c(C)nc2c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
PARP1 P09874 4/20 0.42
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.37
HTT P42858 1/20 0.37
RPS6KA3 P51812 1/20 0.35
DHODH Q02127 2/20 0.35
EGLN1 Q9GZT9 1/20 0.34
TYMS P04818 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSP90AA1 P07900 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL9847101 0.86 ADRB2 (0.42) ADRB2PARP1PDE1APDE1BPDE1C
SCHEMBL10299147 0.84 DDAH1 (0.44) ADORA3ADORA1ADORA2AHTTRPS6KA3
SCHEMBL8016316 0.83 ADRB2 (0.40) ADRB2PARP1PDE1APDE1BPDE1C
SCHEMBL10299139 0.82 ADRB2 (0.42) ADRB2PARP1PDE1APDE1BPDE1C
SCHEMBL12018402 0.82 HTT (0.42) ADRB2PARP1PDE1APDE1BPDE1C
SCHEMBL9847100 0.80 TYR (0.43) ADRB2PARP1HTTTDP1
SCHEMBL12402507 0.80 HSD17B10 (0.38) PARP1RPS6KA3EGLN1ALDH1A1
SCHEMBL28193908 0.80 HTT (0.40) ADORA3ADORA1ADORA2AHTTRPS6KA3
SCHEMBL5788740 0.78 PARP1 (0.54) ADRB2PARP1DHODHALDH1A1TDP1
SCHEMBL13594653 0.77 ADRB2 (0.52) ADRB2PARP1PDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 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 (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-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ADRB2 4484/4885PARP1 2308/4885PDE1A 4880/4885

“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.