SCHEMBL6282886

SCHEMBL6282886

Nc1c(-c2ccccc2)nn2c1N=NC2c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 2/20 0.33
NR4A2 P43354 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CSNK1A1 P48729 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
CSF1R P07333 1/20 0.31
FGFR1 P11362 1/20 0.31
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
CDK8 P49336 1/20 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 0.83 HRH1 (0.31)
SCHEMBL6285815 0.80 HPGD (0.36) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6287550 0.80 SMN1; SMN2 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL6283362 0.77 HPGD (0.33) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL6284079 0.77 HPGD (0.33) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6285911 0.77 HPGD (0.33) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2267362 0.66 NPC1 (0.36) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2271597 0.61 MEN1 (0.32) GAAMEN1KMT2APOLB
SCHEMBL6279835 0.61 ALDH1A1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4913392 0.60 ALDH1A1 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2LMNA

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 KDM4E 1907/4885ALDH1A1 264/4885HPGD 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.