Sugi Predict

Sugi Predict / Compounds / SCHEMBL675682

SCHEMBL675682

SCHEMBL675682

Cn1c(=O)c2cn(Cc3ccc(-n4cncn4)cc3)nc2n(CC(C)(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.41
▸ CYP11B2 P19099 1/20 0.37
▸ TPH1 P17752 2/20 0.35
▸ TPH2 Q8IWU9 2/20 0.35
▸ ABCC8 Q09428 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ BRS3 P32247 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GRM2 Q14416 3/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PDE1A P54750 3/20 0.32

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
SCHEMBL7453613 0.81 GRM2 (0.39) PDE5APDE3BPDE3AGRM2CYP2C9
SCHEMBL17507916 0.78 CA12 (0.45) GRM2
SCHEMBL676509 0.78 DPP4 (0.39) DPP4CYP11B2TPH1TPH2ABCC8
SCHEMBL674792 0.77 DPP4 (0.38) DPP4CYP11B2TPH1TPH2ABCC8
SCHEMBL675988 0.77 DPP4 (0.38) DPP4CYP11B2ABCC8KCNJ11BRS3
SCHEMBL2120812 0.75 PDE1B (0.50) DPP4CYP11B2PDE5APDE3BGRM2
SCHEMBL676325 0.75 DPP4 (0.37) DPP4CYP11B2SMN1; SMN2GRM2CYP2D6
SCHEMBL7513519 0.70 USP1 (0.45) DPP4KDM4EALDH1A1LMNAMAPK1
SCHEMBL2119987 0.70 PDE1B (0.42) DPP4CYP11B2PDE5APDE3BGRM2
SCHEMBL2122099 0.70 PDE1B (0.42) DPP4CYP11B2PDE5APDE3BGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487527-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase I INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-08 — — US disclosed
US-20150119370-A1 Organic Compounds LI PENG (US) 2015-04-30 — — 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
EP-2367430-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2014-08-13 — — EP disclosed
US-20110281832-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-11-17 — — US disclosed
WO-2010065152-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-20110281832-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 DPP4 99/4885CYP11B2 66/4885TPH1 590/4885
US-20150119370-A1 Organic Compounds CYP2C19, CYP2C9, CYP3A43 DPP4 1117/4885CYP11B2 27/4885TPH1 1128/4885

“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.