Sugi Predict

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SCHEMBL9608330

SCHEMBL9608330

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 6/20 0.42
▸ PDE1B Q01064 6/20 0.42
▸ PDE1C Q14123 6/20 0.42
▸ PDE2A O00408 4/20 0.42
▸ SLC16A1 P53985 2/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ LMNA P02545 4/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ HDAC8 Q9BY41 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
SCHEMBL13334441 0.87 PDE1A (0.41) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL16369451 0.86 PDE1B (0.41) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL9608315 0.84 PDE1B (0.43) PDE1APDE1BPDE1CPDE2AMAPT
SCHEMBL2612358 0.81 PDE1B (0.59) PDE1APDE1BPDE1CPDE2ALMNA
SCHEMBL9608334 0.81 PDE1B (0.52) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL16378553 0.79 PDE4A (0.38) PDE1APDE1BPDE1CPDE2AKMT2A
SCHEMBL9608345 0.78 PDE1B (0.35) PDE1APDE1BPDE1CPDE2AMAPT
SCHEMBL2461370 0.78 PDE1A (0.49) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL9609218 0.78 PDE1B (0.48) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL2455942 0.78 PDE1B (0.48) PDE1APDE1BPDE1CPDE2ASLC16A1

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.