Sugi Predict

Sugi Predict / Compounds / SCHEMBL653919

SCHEMBL653919

SCHEMBL653919

CN1C(=O)COc2ccc(N)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.51
▸ PDE3A Q14432 2/20 0.51
▸ GRM4 Q14833 1/20 0.46
▸ CYP11B2 P19099 2/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ PTGER3 P43115 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ SYK P43405 2/20 0.39
▸ KMO O15229 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ SLC6A4 P31645 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
SCHEMBL30991588 1.00 PDE3B (0.51) PDE3BPDE3AGRM4CYP11B2CYP11B1
SCHEMBL520359 0.87 CYP11B2 (0.53) PDE3BPDE3AGRM4CYP11B2CYP11B1
SCHEMBL31481226 0.87 CYP11B2 (0.53) PDE3BPDE3AGRM4CYP11B2CYP11B1
SCHEMBL280110 0.81 TSHR (0.58) PDE3BPDE3ATSHRHTT
SCHEMBL8879021 0.80 HTT (0.54) TSHRHTTKMO
SCHEMBL3332098 0.80 PDE3B (0.51) PDE3BPDE3AGRM4CYP11B2CYP11B1
SCHEMBL993713 0.80 PDE3B (0.51) PDE3BPDE3AGRM4CYP11B2CYP11B1
SCHEMBL9467658 0.80 PDE3B (0.51) PDE3BPDE3AGRM4CYP11B2CYP11B1
SCHEMBL13780087 0.80 KMO (0.58) PDE3BPDE3ATSHRHTTKMO
SCHEMBL265087 0.80 PDE3B (0.54) PDE3BPDE3AGRM4CYP11B2CYP11B1

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 193 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024170772-A1 EPIGALLOCATECHIN-3-GALLATE (EGCG) ANALOGS FOR USE IN THE TREATMENT OF DISEASES IN WHICH AN INCREASE OF NAD+ IS BENEFICIAL SUCH AS GLAUCOMA MIM NEUROSCIENCES AB (SE) 2024-08-22 — — WO claimed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 — — US claimed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 — — EP claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 — — US claimed
EP-2268144-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-01-05 — — EP claimed
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-01 — — US claimed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 — — WO claimed
WO-2010025871-A1 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 — — WO claimed
EP-2161259-A1 4-Haloalkyl substituted Diaminopyrimidine Bayer CropScience AG (DE) 2010-03-10 — — EP claimed
CN-101621927-A Diaminopyrimidines as fungicides BAYER CROPSCIENCE AG 2010-01-06 — — CN claimed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 — — EP claimed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 — — WO claimed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 — — WO claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 — — WO claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 — — US claimed
EP-4719391-A2 TRIPLE KINASE INHIBITORS Unogen Biotech Ltd. (US) 2026-04-08 — — EP disclosed
US-20260085050-A1 TRIPLE KINASE INHIBITORS UNOGEN BIOTECH LTD (US) 2026-03-26 — — US disclosed
EP-0548254-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1993-06-30 — — EP disclosed
WO-1992004345-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1992-03-19 — — WO disclosed
US-5091528-A Antiglaucoma, antidiarrhea agents, diuretics, vasoconstrictors ALLERGAN, INC. (US) 1992-02-25 — — 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-20260085050-A1 TRIPLE KINASE INHIBITORS ALK, ERBB2, ERBB3 PDE3B 3812/4885PDE3A 3977/4885GRM4 1480/4885
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 PDE3B 266/4885PDE3A 329/4885GRM4 1795/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C PDE3B 631/4885PDE3A 723/4885GRM4 1725/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 PDE3B 436/4885PDE3A 507/4885GRM4 2503/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 PDE3B 3574/4885PDE3A 3422/4885GRM4 300/4885

“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.