SCHEMBL6287548

SCHEMBL6287548

Cc1[nH]n2c(-c3ccccc3)nnc2c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
CREBBP Q92793 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL6287904 0.85 KMT2A (0.46) KMT2ANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL6282880 0.83 KMT2A (0.44) KMT2ANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL6283354 0.78 KMT2A (0.40) KMT2ANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL6287319 0.78 DRD2 (0.39) KMT2ANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL6287203 0.78 SMN1; SMN2 (0.44) KMT2ANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL6285813 0.72 MAT2A (0.40) KMT2ANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL6278926 0.71 KMT2A (0.46) KMT2ANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL6287772 0.68 NR1H2 (0.44) KMT2ANPC1RAB9AADORA3ADORA2A
SCHEMBL6288496 0.68 ADORA1 (0.49) KMT2ANPC1TSHRRAB9ASMN1; SMN2
Ethane SCHEMBL10669108 0.67 SMN1; SMN2 (0.48) NPC1TSHRRAB9ASMN1; SMN2GABRA1

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 KMT2A 1852/4885NPC1 4587/4885TSHR 3487/4885
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 KMT2A 1852/4885NPC1 4587/4885TSHR 3487/4885

“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.