SCHEMBL516992

SCHEMBL516992

Nc1nc(-n2nc(Oc3ccccc3F)c3ccccc32)nc(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GUCY1A1 Q02108 12/20 0.42
▸ GUCY1B1 Q02153 12/20 0.42
▸ RORC P51449 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ KCNH2 Q12809 6/20 0.41
▸ RHEB Q15382 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL15385073 0.91 ALDH1A1 (0.43) GUCY1A1GUCY1B1RORCALDH1A1ESR1
SCHEMBL10188875 0.87 GUCY1A1 (0.41) GUCY1A1GUCY1B1RORCALDH1A1ESR1
SCHEMBL516245 0.85 MAPT (0.53) GUCY1A1GUCY1B1RORCKCNH2MAPT
SCHEMBL516733 0.83 GUCY1A1 (0.55) GUCY1A1GUCY1B1RORCKCNH2
SCHEMBL10151844 0.83 GUCY1A1 (0.51) GUCY1A1GUCY1B1RORCKCNH2
SCHEMBL516565 0.80 GUCY1A1 (0.47) GUCY1A1GUCY1B1RORCKCNH2
SCHEMBL10151845 0.80 GUCY1A1 (0.42) GUCY1A1GUCY1B1RORCKCNH2
SCHEMBL516207 0.72 GUCY1A1 (0.40) GUCY1A1GUCY1B1RORCKCNH2
SCHEMBL516656 0.72 TTK (0.47) GUCY1A1GUCY1B1KCNH2MAPTSMN1; SMN2
Formic Acid SCHEMBL516509 0.68 TTK (0.43) GUCY1A1GUCY1B1KCNH2MAPTSMN1; SMN2

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 10 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-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-11-14 — — US disclosed
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
US-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 — — 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
EP-2385942-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES Bayer Pharma Aktiengesellschaft (DE) 2011-11-16 — — EP disclosed
US-20110254572-A1 CAPACITANCE-TYPE SENSOR FUJIKURA LTD. (JP) 2011-10-20 — — US disclosed
WO-2010079120-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 — — WO disclosed
WO-2010079120-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 — — WO 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 2537/4885RORC 2706/4885
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 GUCY1A1 3203/4885GUCY1B1 2537/4885RORC 2706/4885

“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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