Sugi Predict

Sugi Predict / Compounds / SCHEMBL2397976

SCHEMBL2397976

SCHEMBL2397976

CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCF)c3)nc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 11/20 0.56
▸ TP53 P04637 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ GLA P06280 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ FOS P01100 1/20 0.36
▸ JUN P05412 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL2387443 0.91 PDE10A (0.59) PDE10ATP53MAPTPOLBKMT2A
SCHEMBL6916987 0.89 PDE10A (0.63) PDE10ATP53MAPTPOLBKMT2A
SCHEMBL2399654 0.88 PDE10A (0.74) PDE10ATP53MAPTPOLBKMT2A
SCHEMBL2373602 0.87 PDE10A (0.55) PDE10A
SCHEMBL2373381 0.86 PDE10A (0.61) PDE10AMAPTKMT2AALDH1A1CYP1A2
SCHEMBL2385906 0.86 PDE10A (0.74) PDE10ARAB9AKDM4EALDH1A1CYP1A2
SCHEMBL2386118 0.86 PDE10A (0.63) PDE10ATP53MAPTPOLBKMT2A
SCHEMBL2373690 0.86 PDE10A (0.54) PDE10ATP53MAPTPOLB
SCHEMBL2386918 0.85 PDE10A (0.62) PDE10ATP53MAPTPOLBKMT2A
SCHEMBL14672689 0.85 PDE10A (0.61) PDE10ATP53MAPTPOLBKMT2A

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
EP-2552918-B1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-11 — — EP disclosed
EP-2552918-B1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-11 — — EP disclosed
US-8410117-B2 Imidazopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-02 — — US disclosed
US-8410117-B2 Imidazopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-02 — — US disclosed
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2011-09-29 — — US disclosed
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2011-09-29 — — US disclosed
WO-2011117264-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 — — 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 (1 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-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES PDE5A, PDE3B, PDE3A PDE10A 10/4885TP53 4687/4885MAPT 4585/4885

“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.