SCHEMBL5422355

SCHEMBL5422355

CC(O)c1cc2nnc(-c3cccc(N)c3)n2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 3/20 0.36
MAP4K4 O95819 3/20 0.34
AKT1 P31749 1/20 0.34
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
GFER P55789 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
MECP2 P51608 1/20 0.33
MAOA P21397 1/20 0.33
FYN P06241 1/20 0.32
DYRK3 O43781 1/20 0.32
CCNT1 O60563 1/20 0.32

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
SCHEMBL5405556 0.86 NT5E (0.43) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL5408337 0.85 AKT1 (0.32) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL5406467 0.80 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL5417410 0.79 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL5414074 0.74 KDM4E (0.38) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL5402496 0.69 POLB (0.37) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL5406465 0.64 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL12874554 0.63 DYRK3 (0.60) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL13226000 0.62 CYP1A2 (0.54) ALDH1A1HPGDHSD17B10KDM4EMAP4K4
SCHEMBL22474086 0.62 MAP3K5 (0.48) ALDH1A1HPGDHSD17B10KDM4EMAP4K4

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 ALDH1A1 180/4885HPGD 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.