SCHEMBL6287772

SCHEMBL6287772

Cc1[nH]n2nc(-c3ccccc3)nc2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ADORA3 P0DMS8 7/20 0.41
ADORA1 P30542 4/20 0.41
ADORA2A P29274 5/20 0.41
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
CSNK1D P48730 1/20 0.38
POLB P06746 1/20 0.38
ADORA2B P29275 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 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
SCHEMBL6283331 0.84 KMT2A (0.41) NR1H2NR1H3NPC1RAB9AADORA3
SCHEMBL6286487 0.78 DHODH (0.44) NR1H2NR1H3ADORA3ADORA1ADORA2A
SCHEMBL6286050 0.77 ADORA2A (0.45) NR1H3NPC1RAB9AADORA3ADORA1
SCHEMBL6286086 0.77 CSNK1D (0.44) NPC1RAB9AADORA3ADORA1ADORA2A
SCHEMBL2267808 0.74 ADORA3 (0.42) NR1H2NR1H3NPC1RAB9AADORA3
SCHEMBL6288027 0.72 KMT2A (0.40) NPC1RAB9AADORA1ADORA2AALDH1A1
SCHEMBL6287777 0.72 SMN1; SMN2 (0.41) NPC1RAB9AALDH1A1MEN1HTT
SCHEMBL6288022 0.72 KDM4E (0.40) NR1H2NR1H3NPC1RAB9AADORA3
SCHEMBL6288496 0.69 ADORA1 (0.49) NPC1RAB9AADORA1ADORA2AALDH1A1
SCHEMBL6287548 0.68 KMT2A (0.44) NPC1RAB9AADORA3ADORA1ADORA2A

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 NR1H2 2635/4885NR1H3 2276/4885NPC1 4587/4885
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 NR1H2 2635/4885NR1H3 2276/4885NPC1 4587/4885

“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.