Sugi Predict

Sugi Predict / Compounds / SCHEMBL6767775

SCHEMBL6767775

SCHEMBL6767775

CC(C)Oc1ccc(CNc2nc(C3CCC(=CC(=O)O)CC3)nc3sc4ccccc4c23)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ S1PR1 P21453 1/20 0.34
▸ PDE5A O76074 6/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ CENPE Q02224 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL6218376 0.92 PDE5A (0.41) PDE5A
SCHEMBL6762955 0.91 PDE5A (0.37) KMT2APDE5APDE10AALDH1A1
Bicarbonate SCHEMBL6214376 0.91 PDE5A (0.41) MEN1KMT2AS1PR1PDE5ATP53
SCHEMBL6767355 0.89 PDE5A (0.36) PDE5ATP53PDE10AWDR5ALDH1A1
SCHEMBL6764887 0.88 MEN1 (0.40) MEN1KMT2AS1PR1PDE5ATP53
SCHEMBL6635079 0.88 HSD17B10 (0.38) PDE5APDE10AALDH1A1
SCHEMBL7675129 0.87 MEN1 (0.39) MEN1KMT2AS1PR1PDE5ATP53
SCHEMBL6903357 0.86 PDE5A (0.40) PDE5A
SCHEMBL6764621 0.83 PTPN12 (0.40) MEN1KMT2APDE5ATP53MAPT
Bicarbonate SCHEMBL6214763 0.82 PDE5A (0.43) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates MERCK PATENT GMBH (DE) 2004-04-22 — — US disclosed
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists MERCK PATENT GMBH (DE) 2004-04-01 — — US disclosed
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) MERCK PATENT GMBH (DE) 2004-03-25 — — US disclosed
US-20030022906-A1 Use of pde v inhibitors MERCK PATENT GMBH (DE) 2003-01-30 — — 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 (4 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-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates PTGIS, DPYD, PTGIR MEN1 3785/4885KMT2A 4595/4885S1PR1 1727/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR MEN1 3633/4885KMT2A 4594/4885S1PR1 325/4885
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) PTGER1, PTGIS, PTGIR MEN1 1895/4885KMT2A 4746/4885S1PR1 171/4885
US-20030022906-A1 Use of pde v inhibitors PDE3A, PDE5A, PDE2A MEN1 3082/4885KMT2A 3295/4885S1PR1 895/4885

“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.