SCHEMBL5408337

SCHEMBL5408337

CC(O)c1cc2nnc(-c3ccc(N)cc3)n2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 3/20 0.31
RXFP1 Q9HBX9 2/20 0.31
ALOX15 P16050 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MCL1 Q07820 1/20 0.31
BRD4 O60885 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
CREBBP Q92793 1/20 0.31
APOBEC3G Q9HC16 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5406467 0.89 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10RXFP1ALOX15
SCHEMBL5417410 0.87 ALDH1A1 (0.37) KDM4EALDH1A1HSD17B10RXFP1ALOX15
SCHEMBL5414047 0.74 KDM4E (0.36) AKT1KDM4EAPOBEC3G
SCHEMBL5408297 0.72 KDM4E (0.37) AKT1KDM4EAPOBEC3G
SCHEMBL5406465 0.67 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10RXFP1ALOX15
SCHEMBL5402496 0.64 POLB (0.37) ALDH1A1POLBHPGDNPC1GAA
SCHEMBL5410160 0.64 RAD51 (0.43) KDM4EALDH1A1HSD17B10RXFP1ALOX15
Benzidine SCHEMBL28720639 0.59 CYP3A4 (0.61) KDM4EALDH1A1HSD17B10ALOX15HPGD
SCHEMBL2271082 0.59 TP53 (0.41) KDM4EALDH1A1HSD17B10HPGDBRD4
SCHEMBL6488472 0.58 ALDH1A1 (0.52) KDM4EALDH1A1HSD17B10HPGDNPC1

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-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 AKT1 4192/4885KDM4E 1593/4885ALDH1A1 180/4885

“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.