SCHEMBL6288663

SCHEMBL6288663

CCSc1nn2c(c1N)N=C(c1ccccc1)C2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
LMNA P02545 2/20 0.35
SQOR Q9Y6N5 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6288497 0.77 SMN1; SMN2 (0.39) LMNAKDM4EHSD17B10HTTALDH1A1
SCHEMBL6283300 0.77 KDM4E (0.33) ADORA2AADORA1LMNAKDM4EHTT
SCHEMBL6286005 0.76
SCHEMBL6283496 0.76 ALDH1A1 (0.37) ADORA2AADORA1LMNAKDM4EHSD17B10
SCHEMBL2271851 0.73 ALDH1A1 (0.40) ADORA2AADORA1LMNASQORKDM4E
SCHEMBL6287861 0.71 KDM4E (0.36) LMNAKDM4EALDH1A1NPC1MAPT
SCHEMBL2268373 0.66 NPC1 (0.34) LMNAKDM4EHSD17B10ALDH1A1TDP1
SCHEMBL6622477 0.66 ALDH1A1 (0.37) ADORA2AADORA1LMNAKDM4EHSD17B10
SCHEMBL6288661 0.64 ADORA1 (0.37) ADORA2AADORA1LMNASQORKDM4E
SCHEMBL6286047 0.64 ADORA2A (0.37) ADORA2AADORA1LMNASQORKDM4E

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 6 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

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-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 ADORA2A 3782/4885ADORA1 2030/4885LMNA 1037/4885

“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.