Sugi Predict

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SCHEMBL9608315

SCHEMBL9608315

CC(C)Cn1c(=O)n(C)c(=S)c2c(Nc3ccccc3)n(Cc3ccc(-c4ccccn4)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 7/20 0.43
▸ PDE1A P54750 6/20 0.43
▸ PDE1C Q14123 6/20 0.43
▸ PDE2A O00408 5/20 0.43
▸ PDE4A P27815 5/20 0.40
▸ PDE8A O60658 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ PDE9A O76083 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE11A Q9HCR9 1/20 0.40
▸ PDE7B Q9NP56 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ BRD4 O60885 1/20 0.35
▸ USP1 O94782 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NR1D1 P20393 1/20 0.33
▸ ADORA3 P0DMS8 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
SCHEMBL2462950 0.92 PDE1B (0.50) PDE1BPDE1APDE1CPDE2APDE4A
SCHEMBL2458078 0.85 PDE1B (0.45) PDE1BPDE1APDE1CPDE2APDE4A
SCHEMBL9608330 0.84 PDE1A (0.42) PDE1BPDE1APDE1CPDE2ABRD4
SCHEMBL2119817 0.84 PDE1B (0.56) PDE1BPDE1APDE1CPDE2APDE4A
SCHEMBL16369452 0.83 PDE1B (0.52) PDE1BPDE1APDE1CPDE2ABRD4
SCHEMBL13334441 0.83 PDE1A (0.41) PDE1BPDE1APDE1CPDE2APDE4A
SCHEMBL16369451 0.82 PDE1B (0.41) PDE1BPDE1APDE1CPDE2APDE4A
SCHEMBL8513322 0.82 PDE1B (0.46) PDE1BPDE1APDE1CPDE2APDE4A
SCHEMBL2454720 0.80 PDE1B (0.50) PDE1BPDE1APDE1CPDE2ABRD4
SCHEMBL2458000 0.79 PDE1A (0.52) PDE1BPDE1APDE1CPDE2ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353556-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-12-10 — — US disclosed
US-20150353556-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-12-10 — — US disclosed
US-8927556-B2 1H-pyrrolo[3,4-D]pyrimidin-2(6H)-one compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-01-06 — — US disclosed
US-8927556-B2 1H-pyrrolo[3,4-D]pyrimidin-2(6H)-one compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-01-06 — — US disclosed
US-20120136013-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES. INC. 2012-05-31 — — US disclosed
US-20120136013-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES. INC. 2012-05-31 — — US disclosed
WO-2010065147-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 — — 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 (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-20150353556-A1 ORGANIC COMPOUNDS CYP2C9, TPMT, CYP2C19 PDE1B 4863/4885PDE1A 4874/4885PDE1C 4862/4885
US-20120136013-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 PDE1B 4855/4885PDE1A 4874/4885PDE1C 4854/4885

“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.