SCHEMBL23733959

SCHEMBL23733959

CC(C)Cc1cccc2[nH]cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
PARP1 P09874 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
BRD4 O60885 1/20 0.39
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
PDE2A O00408 2/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
DRD2 P14416 2/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PROKR2 Q8NFJ6 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL21941453 0.83 HTR2A (0.42) PARP1HTR2AHTR2CBRD4DRD4
SCHEMBL763087 0.80 PARP1 (0.50) GABRA1GABRB2PARP1HTR2AHTR2C
SCHEMBL9125931 0.79 PARP1 (0.38) PARP1HTR2AHTR2CBRD4HTR1A
SCHEMBL556764 0.78 PARP1 (0.51) PARP1HTR2AHTR2CBRD4DRD4
SCHEMBL7349575 0.77 PNP (0.40) PARP1HTR2AHTR2CBRD4DRD4
SCHEMBL1647056 0.77 PARP1 (0.46) PARP1HTR2AHTR2CBRD4DRD4
SCHEMBL7576839 0.77 PARP1 (0.50) PARP1HTR2AHTR2CBRD4DRD4
SCHEMBL3823364 0.77 PARP1 (0.46) PARP1HTR2AHTR2CBRD4DRD4
SCHEMBL20138342 0.77 PARP1 (0.46) PARP1HTR2AHTR2CBRD4DRD4
SCHEMBL7854460 0.76 SMN1; SMN2 (0.51) PARP1DRD4DRD3DRD2ADORA2A

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-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ATEN PORUS LIFESCIENCES PVT. LTD. (IN) 2023-01-05 US disclosed
US-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2021-08-10 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-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ENPP1, ENPP3, PNP GABRA1 4514/4885GABRB2 4577/4885PARP1 2295/4885
US-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 GABRA1 810/4885GABRB2 675/4885PARP1 243/4885

“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.