SCHEMBL516668

SCHEMBL516668

CC(C)N(C(=O)O)c1c(N)nc(-n2nc(Sc3ccccc3F)c3ncccc32)nc1N

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GUCY1A1 Q02108 14/20 0.37
▸ GUCY1B1 Q02153 14/20 0.37
▸ KCNH2 Q12809 9/20 0.35
▸ PTPN11 Q06124 2/20 0.34
▸ HCRTR1 O43613 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.30
▸ F2 P00734 1/20 0.30

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
SCHEMBL516959 0.89 GUCY1A1 (0.43) GUCY1A1GUCY1B1KCNH2PTPN11ADORA3
SCHEMBL517421 0.88 GUCY1A1 (0.44) GUCY1A1GUCY1B1KCNH2PTPN11
SCHEMBL15378024 0.81 GUCY1A1 (0.34) GUCY1A1GUCY1B1KCNH2PTPN11HCRTR1
SCHEMBL516268 0.81 PTPN11 (0.37) GUCY1A1GUCY1B1KCNH2PTPN11HCRTR1
SCHEMBL7909556 0.80 GUCY1A1 (0.36) GUCY1A1GUCY1B1KCNH2PTPN11
SCHEMBL516308 0.79 GUCY1A1 (0.42) GUCY1A1GUCY1B1KCNH2PTPN11
SCHEMBL7905090 0.79 GUCY1A1 (0.43) GUCY1A1GUCY1B1KCNH2PTPN11ADORA3
SCHEMBL515093 0.77 NPY1R (0.38) PTPN11MAPT
SCHEMBL516306 0.75 GUCY1A1 (0.52) GUCY1A1GUCY1B1KCNH2PTPN11
SCHEMBL16534555 0.73 GUCY1A1 (0.51) 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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