SCHEMBL6283494

SCHEMBL6283494

Nc1c(-c2ccccc2)[nH]n2cc(-c3ccccc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.50
ADORA2A P29274 5/20 0.50
BTK Q06187 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
PIM1 P11309 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
RPS6KB1 P23443 1/20 0.44
CSNK1D P48730 1/20 0.44
CLK2 P49760 1/20 0.44
STK3 Q13188 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL6283296 0.85 CA12 (0.52) ADORA1ADORA2ABTKCA12CA1
SCHEMBL6288496 0.83 ADORA1 (0.49) ADORA1ADORA2ABTKCA12CA1
SCHEMBL6279515 0.83 BTK (0.39) ADORA1ADORA2ABTKCA12CA1
SCHEMBL6287822 0.83 MAT2A (0.43) ADORA1ADORA2ABTKKDM4EALDH1A1
SCHEMBL6287857 0.79 ADORA1 (0.45) ADORA1ADORA2ABTKCA12CA1
SCHEMBL6286510 0.76 ALDH1A1 (0.44) ADORA1ADORA2ABTKCA12CA1
SCHEMBL6288662 0.76 ADORA1 (0.42) ADORA1ADORA2ABTKCA12CA1
SCHEMBL2268367 0.72 ADORA1 (0.51) ADORA1ADORA2ACA12CA1CA2
SCHEMBL6279831 0.72 KDM4E (0.39) ADORA2ABTKKDM4EALDH1A1MAPT
SCHEMBL2273227 0.69 FGFR1 (0.53) ADORA1ADORA2AKDM4EALDH1A1MAPT

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 ADORA1 2030/4885ADORA2A 3782/4885BTK 4419/4885
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 ADORA1 2030/4885ADORA2A 3782/4885BTK 4419/4885

“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.