Sugi Predict

Sugi Predict / Compounds / SCHEMBL678944

SCHEMBL678944

SCHEMBL678944

CSc1c2c(=O)n(C)c(=O)n(CC(C)(C)C)c2nn1Cc1ccc(C(C)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 3/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ GRM2 Q14416 7/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ MAOB P27338 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PARG Q86W56 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ PTAFR P25105 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ NPBWR1 P48145 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL676897 0.94 MAOB (0.38) PDE1BPDE2APDE4DABCC8KCNJ11
SCHEMBL680009 0.88 PDE1B (0.37) PDE1BPDE2APDE4DABCC8KCNJ11
SCHEMBL675577 0.86 GRM2 (0.42) GRM2MAOBMEN1KMT2ANPBWR1
SCHEMBL676380 0.85 PDE1B (0.49) PDE1BPDE2APDE4DGRM2PDE1A
SCHEMBL680616 0.83 PDE1B (0.44) PDE1BPDE2APDE4DGRM2PDE1A
SCHEMBL674937 0.82 PDE1B (0.37) PDE1BPDE2APDE4DGRM2PDE1A
SCHEMBL676509 0.81 DPP4 (0.39) PDE1BPDE2APDE4DABCC8KCNJ11
SCHEMBL676450 0.80 PDE1B (0.52) PDE1BPDE2APDE4DGRM2PDE1A
SCHEMBL15943438 0.79 PDE1B (0.38) PDE1BPDE2APDE4DGRM2PDE1A
SCHEMBL674429 0.74 ALDH1A1 (0.43) GRM2NPBWR1

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-20180177782-A9 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2018-06-28 — — US disclosed
US-20180000825-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2018-01-04 — — US disclosed
US-9801882-B2 Phosphodiesterase-1 inhibitors and their use in treatment of cardiovascular diseases INTRA-CELLULAR THERAPIES, INC. (US) 2017-10-31 — — US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 — — US disclosed
US-20150374699-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2015-12-31 — — 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-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 (5 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-20180000825-A1 NOVEL USES PDE2A, PDE5A, PDE3A PDE1B 21/4885PDE2A 1/4885PDE4D 8/4885
US-20150374699-A1 NOVEL USES PDE2A, PDE5A, PDE3A PDE1B 21/4885PDE2A 1/4885PDE4D 8/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE1B 22/4885PDE2A 2/4885PDE4D 17/4885
US-20110281832-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 PDE1B 4855/4885PDE2A 1471/4885PDE4D 1111/4885
US-20180177782-A9 NOVEL USES PDE2A, PDE5A, PDE3A PDE1B 21/4885PDE2A 1/4885PDE4D 8/4885

“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.