SCHEMBL5405683

SCHEMBL5405683

CC(O)c1cc2nnc(-c3ccccc3)n2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 5/20 0.38
BRD4 O60885 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
CREBBP Q92793 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAD51 Q06609 1/20 0.37
ABL1 P00519 1/20 0.36
PDGFRA P16234 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK7 P50613 1/20 0.36
BTK Q06187 1/20 0.36
MAP4K2 Q12851 1/20 0.36

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
SCHEMBL5402500 0.89 NPC1 (0.39) HPGDRAB9AALDH1A1NPC1KMT2A
SCHEMBL5406467 0.88 ALDH1A1 (0.40) KDM4EHPGDHSD17B10RXFP1RAB9A
SCHEMBL5417410 0.87 ALDH1A1 (0.37) KDM4EHPGDHSD17B10RXFP1RAB9A
SCHEMBL5405556 0.86 NT5E (0.43) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL5408337 0.86 AKT1 (0.32) KDM4EHPGDHSD17B10BRD4ADORA3
SCHEMBL5422355 0.85 ALDH1A1 (0.38) KDM4EHPGDHSD17B10RAB9AALDH1A1
SCHEMBL2270872 0.78 KDM4E (0.53) KDM4EHPGDHSD17B10BRD4ADORA3
SCHEMBL2267352 0.74 KDM4E (0.53) KDM4EHPGDHSD17B10BRD4ADORA3
SCHEMBL2271082 0.73 TP53 (0.41) KDM4EHPGDHSD17B10BRD4ADORA3
SCHEMBL5405607 0.73 KMT2A (0.38) KDM4EHPGDHSD17B10BRD4ADORA3

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-1362049-B1 PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES OREAL (FR) 2006-06-21 EP claimed
US-20040088801-A1 Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2004-05-13 US claimed
EP-1362049-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 EP claimed
WO-2002064596-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2002-08-22 WO claimed
US-7205359-B2 Functional norbornenes as initiators for radical polymerization, their polymeric derivatives and a process for producing the same NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2007-04-17 US disclosed
US-7192452-B2 Pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2007-03-20 US disclosed
US-20040088801-A1 Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2004-05-13 US disclosed
EP-1362049-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 EP disclosed
WO-2002064596-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2002-08-22 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-20040088801-A1 Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres KRT18, CYC1, CBR3 KDM4E 1593/4885HPGD 696/4885HSD17B10 751/4885

“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.