SCHEMBL1628683

SCHEMBL1628683

COc1ccc(-c2ccnn2-c2cccc(C#N)c2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.50
▸ MCHR1 Q99705 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ NT5E P21589 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ USP7 Q93009 1/20 0.38
▸ ICMT O60725 1/20 0.37

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
SCHEMBL1630086 0.88 NPSR1 (0.52) NPBWR1MCHR1NPSR1MAPTALDH1A1
SCHEMBL1629700 0.87 MAPT (0.49) NPSR1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1630165 0.87 NT5E (0.42) NPBWR1MCHR1MAPTALDH1A1KDM4E
SCHEMBL1630238 0.83 MAPT (0.51) NPSR1MAPTALDH1A1KDM4EMEN1
SCHEMBL1630200 0.82 ALDH1A1 (0.47) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL1631568 0.82 KDM4E (0.57) NPBWR1MCHR1NPSR1MAPTALDH1A1
SCHEMBL1629050 0.82 NR3C2 (0.41) MAPTALDH1A1KDM4ENT5EHTT
SCHEMBL1629669 0.80 MAPT (0.60) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL12722740 0.80 NPSR1 (0.45) NPBWR1MCHR1NPSR1MAPTALDH1A1
SCHEMBL1631451 0.80 NPBWR1 (0.50) NPBWR1MCHR1NPSR1MAPTALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 — — EP claimed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 — — US claimed
EP-1776346-A1 1,5-DIPHENYLPYRAZOLES Merck Patent GmbH (DE) 2007-04-25 — — EP claimed
WO-2006018082-A1 1,5-DIPHENYLPYRAZOLES MERCK PATENT GMBH (DE) 2006-02-23 — — WO claimed
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 — — EP disclosed
US-7932401-B2 Heat Shock Protein 90 (HSP90) inhibitors; 5-(2-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazole for example; antitumor agent, viral diseases, transplant rejection, cystic fibrosis, angiogenesis inhibition, infectious, autoimmune, or inflammatory diseases, ischemia, chemotherapy cytoprotectant MERCK PATENT GMBH (DE) 2011-04-26 — — US disclosed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 — — US disclosed
EP-1776346-A1 1,5-DIPHENYLPYRAZOLES Merck Patent GmbH (DE) 2007-04-25 — — EP disclosed
WO-2006018082-A1 1,5-DIPHENYLPYRAZOLES MERCK PATENT GMBH (DE) 2006-02-23 — — 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 (1 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-20080085904-A1 1,5-Diphenylpyrazoles HSP90AB1, HSP90AA1, HSP90AB2P NPBWR1 2342/4885MCHR1 3156/4885NPSR1 2769/4885

“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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