Sugi Predict

Sugi Predict / Compounds / SCHEMBL9608325

SCHEMBL9608325

SCHEMBL9608325

CCn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4ncccn4)cc3)cc2n(CC(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 6/20 0.41
▸ PDE1B Q01064 6/20 0.41
▸ PDE1C Q14123 6/20 0.41
▸ PDE2A O00408 4/20 0.41
▸ BRD4 O60885 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TPH1 P17752 1/20 0.34
▸ TPH2 Q8IWU9 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCND2 P30279 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ ADORA1 P30542 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ USP1 O94782 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
SCHEMBL16369452 0.90 PDE1B (0.52) PDE1APDE1BPDE1CPDE2ABRD4
SCHEMBL2462950 0.82 PDE1B (0.50) PDE1APDE1BPDE1CPDE2ABRD4
SCHEMBL2454720 0.81 PDE1B (0.50) PDE1APDE1BPDE1CPDE2ABRD4
SCHEMBL9608334 0.79 PDE1B (0.52) PDE1APDE1BPDE1CPDE2ABRD4
SCHEMBL9608315 0.77 PDE1B (0.43) PDE1APDE1BPDE1CPDE2ABRD4
SCHEMBL2612357 0.76 PDE1B (0.51) PDE1APDE1BPDE1CPDE2ACDK4
SCHEMBL2458078 0.76 PDE1B (0.45) PDE1APDE1BPDE1CPDE2A
SCHEMBL2454858 0.75 PDE1A (0.48) PDE1APDE1BPDE1CPDE2AUSP1
SCHEMBL2461370 0.75 PDE1A (0.49) PDE1APDE1BPDE1CPDE2AKMT2A
SCHEMBL2455942 0.74 PDE1B (0.48) PDE1APDE1BPDE1CPDE2AP2RX3

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 PDE1A 4874/4885PDE1B 4863/4885PDE1C 4862/4885
US-20120136013-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 PDE1A 4874/4885PDE1B 4855/4885PDE1C 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.