SCHEMBL6283300

SCHEMBL6283300

Nc1nn2c(c1N)N=C(c1ccccc1)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 3/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 3/20 0.33
KDR P35968 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CDK8 P49336 2/20 0.33
ACVR1 Q04771 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33

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
SCHEMBL6283496 0.85 ALDH1A1 (0.37) KDM4ENPC1MAPTRAB9AKDR
SCHEMBL6288497 0.84 SMN1; SMN2 (0.39) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL6287861 0.80 KDM4E (0.36) KDM4ENPC1MAPTRAB9AKDR
SCHEMBL2268373 0.75 NPC1 (0.34) KDM4ENPC1MAPTRAB9AKDR
SCHEMBL2273233 0.70 MAPT (0.33) KDM4ENPC1MAPTRAB9AKDR
SCHEMBL6622477 0.65 ALDH1A1 (0.37) KDM4ENPC1MAPTRAB9AKDR
SCHEMBL2269601 0.64 GRM5 (0.40) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL2270445 0.63 MAPT (0.45) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL8041064 0.58 GSK3B (0.46) KDM4ENPC1MAPTRAB9AKDR
SCHEMBL1068403 0.55

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 1907/4885NPC1 4587/4885MAPT 2441/4885

“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.