Sugi Predict

Sugi Predict / Compounds / SCHEMBL2735210

SCHEMBL2735210

SCHEMBL2735210

N#Cc1c(N2CCC3(CC2)OCCO3)nc(Cc2ccccc2Cl)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSD11B1 P28845 8/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HIF1A Q16665 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
SCHEMBL2735214 0.90 ALDH1A1 (0.40) PDE9AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL2735180 0.89 ALDH1A1 (0.44) PDE9AKDM4EALDH1A1HTTLMNA
SCHEMBL2735169 0.89 PDE9A (0.45) PDE9AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL2735213 0.87 PDE9A (0.49) PDE9AKDM4EL3MBTL1LMNAMAPT
SCHEMBL2735236 0.86 PDE9A (0.49) PDE9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2735244 0.86 PDE9A (0.43) PDE9AKDM4EALDH1A1HTTL3MBTL1
SCHEMBL2735225 0.85 PDE9A (0.44) PDE9AKDM4EALDH1A1CYP3A4HTT
SCHEMBL2735260 0.83 PDE9A (0.43) PDE9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2735221 0.83 PDE9A (0.39) PDE9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2735248 0.81 RAPGEF4 (0.41) PDE9AKDM4EALDH1A1MEN1KMT2A

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-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 — — US disclosed
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 — — US disclosed
US-8088769-B2 e.g. 2-(3,4-Dichlorophenyl)ethanamidine hydrochloride; phosphodiesterases inhibitor; learning enhancement, cognition activator; improving perception, concentration, or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-03 — — US disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 — — US disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 — — US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 — — US disclosed
WO-2006125554-A1 USE OF CYANOPYRIMIDINES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2006-11-30 — — 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-20080255118-A1 Cyanopyrimidinones CACYBP, CHRM4, CHRNA4 PDE9A 280/4885KDM4E 1288/4885ALDH1A1 3690/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 PDE9A 280/4885KDM4E 1288/4885ALDH1A1 3690/4885

“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.