SCHEMBL6287550

SCHEMBL6287550

Cc1nn2c(c1N)N=NC2c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.35
CYP1A2 P05177 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 2/20 0.33
CDK8 P49336 1/20 0.32
ACVR1 Q04771 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 4/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
NFKB1 P19838 1/20 0.31
HTT P42858 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HSD17B10 Q99714 2/20 0.31
NUDT1 P36639 1/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL6287908 0.84 HRH1 (0.31)
SCHEMBL6283362 0.78 HPGD (0.33) SMN1; SMN2KDM4EHPGDCDK8MAPT
SCHEMBL2269071 0.71
Hydrochloric Acid SCHEMBL6288031 0.69
SCHEMBL2270881 0.68 KDM4E (0.42) SMN1; SMN2KDM4EHPGDCYP1A2MAPK1
SCHEMBL6285815 0.62 HPGD (0.36) SMN1; SMN2KDM4EHPGDCDK8ACVR1
SCHEMBL2271597 0.62 MEN1 (0.32) GAAMAPTMEN1KMT2ATSHR
SCHEMBL2267362 0.60 NPC1 (0.36) SMN1; SMN2KDM4EHPGDMAPK1GAA
SCHEMBL6284079 0.60 HPGD (0.33) SMN1; SMN2KDM4EHPGDCDK8ACVR1
SCHEMBL17285114 0.59 KMT2A (0.39) GAAALDH1A1MEN1KMT2ATSHR

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 SMN1; SMN2 4865/4885KDM4E 1907/4885HPGD 806/4885

“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.