SCHEMBL6288469

SCHEMBL6288469

Nc1ccc2[nH]c3ccnn3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 2/20 0.34
ROCK2 O75116 1/20 0.34
HPGD P15428 1/20 0.34
ROCK1 Q13464 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2A6 P11509 1/20 0.34
KEAP1 Q14145 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
RPS6KA3 P51812 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PLK3 Q9H4B4 1/20 0.34

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
SCHEMBL2272351 0.88 ADORA3 (0.36) PSMB8ADORA3MEN1KMT2AKDM4E
SCHEMBL2270643 0.82
SCHEMBL2264775 0.77 ATAD2 (0.34) KDM4EMAPTALDH1A1GAARAB9A
SCHEMBL2270592 0.73 GRIN2D (0.39) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL6288467 0.73 PARP1 (0.34) PARP1
SCHEMBL6287853 0.72 IDO1 (0.37) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6288046 0.70 MAPT (0.39) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL29450531 0.70 DAO (0.44) KMT2AALDH1A1RAB9AHPGDNPC1
SCHEMBL1524037 0.67 PNP (0.31)
SCHEMBL5459565 0.66 ALDH1A1 (0.37) MEN1KMT2AMAPTALDH1A1RAB9A

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-0923929-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-AZOLE COMPOUNDS, USE THEREOF AS OXIDATION AGENTS, AND DYEING METHOD; PYRAZOLOAZOLES OREAL (FR) 2004-05-12 EP claimed
US-20020152558-A1 Compositions for dyeing keratinous fibers comprising pyrazoloazoles; their use in dyeing as oxidation base and dyeing process; and novel pyrazoloazoles L'OREAL 2002-10-24 US claimed
US-6379397-B2 CAPABLE OF GENERATING INTENSE COLORINGS IN VARIED SHADES L'OREAL S.A. (FR) 2002-04-30 US claimed
US-6855827-B2 Compositions for dyeing keratinous fibers comprising pyrazoloazoles; their use in dyeing as oxidation base and dyeing process; and novel pyrazoloazoles L'ORÉAL (FR) 2005-02-15 US disclosed
US-20020152558-A1 Compositions for dyeing keratinous fibers comprising pyrazoloazoles; their use in dyeing as oxidation base and dyeing process; and novel pyrazoloazoles L'OREAL 2002-10-24 US disclosed
US-6379397-B2 CAPABLE OF GENERATING INTENSE COLORINGS IN VARIED SHADES L'OREAL S.A. (FR) 2002-04-30 US disclosed
US-20020007520-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBERS COMPRISING PYRAZOLOAZOLES; THEIR USE IN DYEING AS OXIDATION BASE AND DYEING PROCESS; AND NOVEL PYRAZOLOAZOLES L'OREAL S.A. (FR) 2002-01-24 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 (2 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-20020007520-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBERS COMPRISING PYRAZOLOAZOLES; THEIR USE IN DYEING AS OXIDATION BASE AND DYEING PROCESS; AND NOVEL PYRAZOLOAZOLES KRT18, ZYX, TUBB3 PSMB8 2392/4885ADORA3 1929/4885MEN1 4719/4885
US-20020152558-A1 Compositions for dyeing keratinous fibers comprising pyrazoloazoles; their use in dyeing as oxidation base and dyeing process; and novel pyrazoloazoles KRT18, ZYX, TUBB3 PSMB8 2392/4885ADORA3 1929/4885MEN1 4719/4885

“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.