SCHEMBL516733

SCHEMBL516733

CN(C(=O)O)c1c(N)nc(-n2nc(Oc3ccccc3F)c3ccccc32)nc1N

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1A1 Q02108 17/20 0.55
▸ GUCY1B1 Q02153 17/20 0.55
▸ KCNH2 Q12809 10/20 0.53
▸ RORC P51449 3/20 0.41
▸ RARG P13631 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
SCHEMBL516565 0.87 GUCY1A1 (0.47) GUCY1A1GUCY1B1KCNH2RORCRARG
SCHEMBL516992 0.83 GUCY1A1 (0.42) GUCY1A1GUCY1B1KCNH2RORC
SCHEMBL15385073 0.82 ALDH1A1 (0.43) GUCY1A1GUCY1B1KCNH2RORC
SCHEMBL10188875 0.80 GUCY1A1 (0.41) GUCY1A1GUCY1B1KCNH2RORC
SCHEMBL10151844 0.80 GUCY1A1 (0.51) GUCY1A1GUCY1B1KCNH2RORC
SCHEMBL516306 0.79 GUCY1A1 (0.52) GUCY1A1GUCY1B1KCNH2
SCHEMBL516245 0.78 MAPT (0.53) GUCY1A1GUCY1B1KCNH2RORC
SCHEMBL10151845 0.77 GUCY1A1 (0.42) GUCY1A1GUCY1B1KCNH2RORC
Formic Acid SCHEMBL516290 0.76 GUCY1A1 (0.51) GUCY1A1GUCY1B1KCNH2
SCHEMBL2447914 0.76 GUCY1A1 (0.82) 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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