SCHEMBL6287822

SCHEMBL6287822

Cc1cn2[nH]c(-c3ccccc3)c(N)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 8/20 0.43
ADORA2A P29274 4/20 0.41
ADORA3 P0DMS8 2/20 0.40
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL6283494 0.83 ADORA1 (0.50) ADORA2AKDM4EHSD17B10HPGDALDH1A1
SCHEMBL6279515 0.81 BTK (0.39) MAT2AADORA2AKDM4EHSD17B10HPGD
SCHEMBL6282267 0.74 ALDH1A1 (0.35) ADORA2AADORA3HSD17B10HPGDALDH1A1
SCHEMBL6288499 0.74 ALDH1A1 (0.35) ADORA2AADORA3HSD17B10HPGDALDH1A1
SCHEMBL6288022 0.72 KDM4E (0.40) MAT2AADORA2AADORA3KDM4EHSD17B10
SCHEMBL6288496 0.72 ADORA1 (0.49) ADORA2AKDM4EHSD17B10HPGDALDH1A1
SCHEMBL6279831 0.71 KDM4E (0.39) MAT2AADORA2AKDM4EHSD17B10HPGD
SCHEMBL6285813 0.70 MAT2A (0.40) MAT2AKDM4EHSD17B10HPGDALDH1A1
SCHEMBL6279747 0.70 KDM4E (0.34) ADORA2AADORA3KDM4EHSD17B10HPGD
SCHEMBL6282880 0.68 KMT2A (0.44) MAT2AADORA2AADORA3KDM4EHSD17B10

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 MAT2A 3365/4885ADORA2A 3782/4885ADORA3 1929/4885
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 MAT2A 3365/4885ADORA2A 3782/4885ADORA3 1929/4885

“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.