SCHEMBL2456336

SCHEMBL2456336

COc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
PDE1A P54750 7/20 0.45
PDE1B Q01064 7/20 0.45
PDE1C Q14123 7/20 0.45
PDE2A O00408 4/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PARG Q86W56 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL2454552 0.83 PDE1A (0.46) MAPTPDE1APDE1BPDE1CPDE2A
SCHEMBL3390646 0.79 MAPT (0.47) MAPTPDE1APDE1BPDE1CPDE2A
SCHEMBL3395475 0.79 SLC16A1 (0.59) MAPTPDE1APDE1BPDE1CPDE2A
SCHEMBL2453873 0.77 PDE1A (0.48) MAPTPDE1APDE1BPDE1CPDE2A
SCHEMBL7000713 0.77 MAPT (0.47) MAPTPDE1APDE1BPDE1CPDE2A
SCHEMBL7508117 0.74 ALDH1A1 (0.48) MAPTPDE1APDE1BPDE1CPDE2A
SCHEMBL17644502 0.74 MAPT (0.46) MAPTPDE1APDE1BPDE1CPDE2A
SCHEMBL3391546 0.73 PDE1A (0.47) MAPTPDE1APDE1BPDE1CPDE2A
SCHEMBL2461370 0.71 PDE1A (0.49) MAPTPDE1APDE1BPDE1CPDE2A
SCHEMBL3389822 0.68 PDE1B (0.43) PDE1APDE1BPDE1CPDE2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371327-B2 PDE1 inhibitor compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-06-21 US disclosed
EP-2367428-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-04-06 EP 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-20130324565-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2013-12-05 US disclosed
EP-2590657-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2013-05-15 EP disclosed
US-20120136013-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES. INC. 2012-05-31 US disclosed
WO-2011153135-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2011-12-08 WO disclosed
EP-2367428-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2011-09-28 EP 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 (3 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 MAPT 888/4885PDE1A 4874/4885PDE1B 4863/4885
US-20120136013-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 MAPT 966/4885PDE1A 4874/4885PDE1B 4855/4885
US-20130324565-A1 ORGANIC COMPOUNDS UGT2B7, CYP2C9, CYP4B1 MAPT 1897/4885PDE1A 4846/4885PDE1B 4657/4885

“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.