SCHEMBL516291

SCHEMBL516291

CN(C(=O)OC=O)c1c(N)nc(-n2nc(Nc3ccccc3F)c3ccccc32)nc1N

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1A1 Q02108 17/20 0.56
▸ GUCY1B1 Q02153 17/20 0.56
▸ KCNH2 Q12809 11/20 0.54
▸ ADORA3 P0DMS8 1/20 0.40
▸ TTK P33981 1/20 0.37

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
Formic Acid SCHEMBL516290 0.88 GUCY1A1 (0.51) GUCY1A1GUCY1B1KCNH2ADORA3TTK
Formic Acid SCHEMBL516509 0.80 TTK (0.43) GUCY1A1GUCY1B1KCNH2TTK
SCHEMBL7903452 0.78 GUCY1A1 (0.50) GUCY1A1GUCY1B1KCNH2TTK
SCHEMBL516656 0.78 TTK (0.47) GUCY1A1GUCY1B1KCNH2TTK
SCHEMBL516244 0.73 RAB9A (0.48) GUCY1A1GUCY1B1KCNH2TTK
SCHEMBL516733 0.69 GUCY1A1 (0.55) GUCY1A1GUCY1B1KCNH2
SCHEMBL14549794 0.69 GUCY1A1 (1.00) GUCY1A1GUCY1B1KCNH2
SCHEMBL14549800 0.67 GUCY1A1 (1.00) GUCY1A1GUCY1B1KCNH2ADORA3
SCHEMBL516306 0.67 GUCY1A1 (0.52) GUCY1A1GUCY1B1KCNH2
SCHEMBL12323244 0.64 GUCY1A1 (0.85) GUCY1A1GUCY1B1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-11-14 — — US disclosed
US-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 — — 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 (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-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 GUCY1A1 3203/4885GUCY1B1 2537/4885KCNH2 302/4885
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 GUCY1A1 3203/4885GUCY1B1 2537/4885KCNH2 302/4885

“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.

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