SCHEMBL1628993

SCHEMBL1628993

COc1ccc(-c2ccnn2-c2ccc(NC(=O)c3ccncc3)cc2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 2/20 0.47
PSMD14 O00487 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.47
NR4A1 P22736 1/20 0.47
MCL1 Q07820 1/20 0.47
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL1629506 0.92 RAB9A (0.54) LMNAKMT2AMEN1RAB9ANPC1
SCHEMBL1630485 0.87 MAPT (0.49) LMNAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL1628989 0.84 ADORA3 (0.50) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1628783 0.83 ADORA3 (0.53) LMNAKMT2ARAB9ANPC1TP53
SCHEMBL1628998 0.81 ALDH1A1 (0.57) KMT2AKDM4EMEN1RAB9ANPC1
SCHEMBL1629986 0.80 GAA (0.50) LMNAKMT2AKDM4EMEN1RAB9A
SCHEMBL1629692 0.77 MAPT (0.52) LMNAKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL5169612 0.76 MAPT (0.43) KMT2AKDM4ERAB9ANPC1ALDH1A1
SCHEMBL12722760 0.76 MAPT (0.51) KMT2AKDM4EMEN1RAB9ANPC1
SCHEMBL3271513 0.76 RAB9A (0.77) LMNAKMT2AKDM4EMEN1RAB9A

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
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

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 LMNA 4252/4885KMT2A 4362/4885KDM4E 3577/4885

“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.