Sugi Predict

Sugi Predict / Compounds / SCHEMBL679995

SCHEMBL679995

SCHEMBL679995

CC(C)Cn1c(=O)n(C)c(=O)c2c(S(=O)(=O)c3ccccc3)n(Cc3ccc(-n4cccn4)cc3)nc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 7/20 0.45
▸ PDE1A P54750 6/20 0.45
▸ PDE1C Q14123 6/20 0.45
▸ USP1 O94782 6/20 0.44
▸ PDE2A O00408 5/20 0.41
▸ CHRM1 P11229 2/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ PDE4D Q08499 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
SCHEMBL3010414 0.83 PDE1B (0.65) PDE1BPDE1APDE1CUSP1PDE2A
SCHEMBL678928 0.83 PDE1B (0.45) PDE1BPDE1APDE1CUSP1PDE2A
SCHEMBL680003 0.78 USP1 (0.48) PDE1BPDE1APDE1CUSP1PDE2A
SCHEMBL2612342 0.76 PDE1B (0.55) PDE1BPDE1APDE1CUSP1PDE2A
SCHEMBL2612347 0.74 PDE1B (0.52) PDE1BPDE1APDE1CUSP1PDE2A
SCHEMBL2454858 0.72 PDE1A (0.48) PDE1BPDE1APDE1CUSP1PDE2A
SCHEMBL3091849 0.71 PDE1B (0.54) PDE1BPDE1APDE1CPDE2A
SCHEMBL3011746 0.70 PDE1B (0.64) PDE1BPDE1APDE1CPDE2ADPP4
SCHEMBL10201414 0.70 PDE1B (0.65) PDE1BPDE1APDE1CUSP1PDE2A
SCHEMBL3083046 0.70 PDE1B (0.53) PDE1BPDE1APDE1CPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487527-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase I INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-08 — — US disclosed
US-9487527-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase I INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-08 — — US disclosed
US-20150119370-A1 Organic Compounds LI PENG (US) 2015-04-30 — — US disclosed
US-20150119370-A1 Organic Compounds LI PENG (US) 2015-04-30 — — US disclosed
US-8859564-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase 1 INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-14 — — US disclosed
US-8859564-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase 1 INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-14 — — US disclosed
EP-2367430-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2014-08-13 — — EP disclosed
US-20110281832-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-11-17 — — US disclosed
US-20110281832-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-11-17 — — 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-20110281832-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 PDE1B 4855/4885PDE1A 4874/4885PDE1C 4854/4885
US-20150119370-A1 Organic Compounds CYP2C19, CYP2C9, CYP3A43 PDE1B 4882/4885PDE1A 4885/4885PDE1C 4884/4885

“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.