SCHEMBL515093

SCHEMBL515093

Nc1nc(-n2nc(Sc3ccccc3F)c3ncccc32)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 2/20 0.38
▸ MGMT P16455 2/20 0.36
▸ RAB9A P51151 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ MAPT P10636 8/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ PTPN11 Q06124 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PSMD14 O00487 1/20 0.32

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
SCHEMBL516268 0.87 PTPN11 (0.37) MAPTPTPN11
SCHEMBL516495 0.86 GUCY1A1 (0.38) MGMTRAB9AMAPTSMN1; SMN2LMNA
SCHEMBL15378024 0.81 GUCY1A1 (0.34) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL516959 0.79 GUCY1A1 (0.43) PTPN11
SCHEMBL7905090 0.79 GUCY1A1 (0.43) KMT2APTPN11L3MBTL1
SCHEMBL3577172 0.78 GUCY1A1 (0.48) NPY1RMGMT
SCHEMBL516668 0.77 GUCY1A1 (0.37) MAPTPTPN11
SCHEMBL7909556 0.76 GUCY1A1 (0.36) PTPN11
SCHEMBL516215 0.75 MAPT (0.48) NPY1RMGMTMEN1KMT2ANPSR1
SCHEMBL516887 0.73 LMNA (0.45) MGMTMEN1KMT2AMAPTSMN1; 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 5 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-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 NPY1R 4451/4885MGMT 3722/4885RAB9A 2980/4885
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 NPY1R 4451/4885MGMT 3722/4885RAB9A 2980/4885

“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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