SCHEMBL5410751

SCHEMBL5410751

O=C(O)Cc1cc2nnc(-c3ccccc3)n2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 4/20 0.37
PTGS1 P23219 2/20 0.37
GAA P10253 2/20 0.37
ABCC4 O15439 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.36
ABL1 P00519 1/20 0.35
PDGFRA P16234 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK7 P50613 1/20 0.35
BTK Q06187 1/20 0.35
MAP4K2 Q12851 1/20 0.35
AURKB Q96GD4 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL5405607 0.84 KMT2A (0.38) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL5416398 0.81 ABL1 (0.36) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL2271082 0.78 TP53 (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL2267352 0.73 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL2270872 0.73 KDM4E (0.53) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL2646126 0.72 ALDH1A1 (0.40) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL5416442 0.71 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5410160 0.71 RAD51 (0.43) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL5413319 0.70 NT5E (0.44) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL5414047 0.70 KDM4E (0.36) KDM4EHTT

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-7192452-B2 Pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2007-03-20 US disclosed
EP-1362049-B1 PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES OREAL (FR) 2006-06-21 EP 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 1593/4885ALDH1A1 180/4885HPGD 696/4885

“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.