SCHEMBL516244

SCHEMBL516244

Nc1nc(-n2nc(Nc3ccccc3F)c3ccccc32)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TTK P33981 1/20 0.42
▸ GUCY1A1 Q02108 8/20 0.40
▸ GUCY1B1 Q02153 8/20 0.40
▸ KCNH2 Q12809 2/20 0.37
▸ MGMT P16455 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LCK P06239 1/20 0.35

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
SCHEMBL516656 0.85 TTK (0.47) RAB9AMAPTMEN1KMT2ATTK
Formic Acid SCHEMBL516509 0.82 TTK (0.43) RAB9AMAPTMEN1KMT2ATTK
SCHEMBL7903452 0.78 GUCY1A1 (0.50) RAB9AMEN1KMT2ATTKGUCY1A1
SCHEMBL516495 0.77 GUCY1A1 (0.38) RAB9AMAPTPOLBGUCY1A1GUCY1B1
SCHEMBL516245 0.77 MAPT (0.53) MAPTGUCY1A1GUCY1B1KCNH2MGMT
SCHEMBL7909551 0.77 GUCY1A1 (0.63) GUCY1A1GUCY1B1KCNH2
Formic Acid SCHEMBL516290 0.75 GUCY1A1 (0.51) TTKGUCY1A1GUCY1B1KCNH2
SCHEMBL516215 0.70 MAPT (0.48) MAPTMEN1KMT2AATMGUCY1A1
SCHEMBL516887 0.68 LMNA (0.45) MAPTPOLBMEN1KMT2AATM
SCHEMBL3577172 0.67 GUCY1A1 (0.48) GUCY1A1GUCY1B1KCNH2MGMT

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 7 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
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 RAB9A 2980/4885MAPT 3687/4885POLB 2309/4885
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 RAB9A 2980/4885MAPT 3687/4885POLB 2309/4885

“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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