SCHEMBL516208

SCHEMBL516208

COc1ccc(Cn2nc(O)c3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.66
CNR1 P21554 2/20 0.66
PTGER4 P35408 4/20 0.58
P2RX4 Q99571 1/20 0.52
BUB1 O43683 4/20 0.51
BCHE P06276 1/20 0.47
CHRM1 P11229 1/20 0.46
CASP3 P42574 1/20 0.46
ACHE P22303 1/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8448659 0.86 CNR1 (0.52) CNR2CNR1PTGER4BUB1LMNA
SCHEMBL927918 0.84 CNR1 (0.64) CNR2CNR1PTGER4P2RX4BUB1
SCHEMBL27800056 0.84 CNR2 (0.80) CNR2CNR1PTGER4P2RX4BUB1
SCHEMBL3017384 0.83 CNR1 (0.58) CNR2CNR1PTGER4CHRM1ACHE
SCHEMBL28170887 0.83 CNR2 (0.66) CNR2CNR1PTGER4P2RX4BUB1
SCHEMBL30415447 0.83 CNR2 (0.66) CNR2CNR1PTGER4P2RX4BUB1
SCHEMBL16122909 0.83 CNR2 (0.66) CNR2CNR1PTGER4P2RX4BUB1
SCHEMBL19793130 0.83 CNR2 (0.66) CNR2CNR1PTGER4P2RX4BUB1
SCHEMBL8450448 0.82 AKR1C3 (0.51) CNR2CNR1PTGER4L3MBTL1
SCHEMBL10627892 0.82 CNR1 (0.56) CNR2CNR1PTGER4CHRM1ACHE

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 8 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
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 CNR2 3885/4885CNR1 4392/4885PTGER4 974/4885
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 CNR2 3885/4885CNR1 4392/4885PTGER4 974/4885

“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.