SCHEMBL6283354

SCHEMBL6283354

Nc1c(C(=O)O)[nH]n2c(-c3ccccc3)nnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.39
PIN1 Q13526 3/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
BRD4 O60885 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
CREBBP Q92793 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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 0.80 KMT2A (0.46) KMT2ABRD4ADORA3ADORA2AADORA2B
SCHEMBL6282880 0.78 KMT2A (0.44) KMT2AMAPK1BRD4ADORA3ADORA2A
SCHEMBL6287548 0.78 KMT2A (0.44) KMT2ABRD4ADORA3ADORA2AADORA2B
SCHEMBL6287319 0.70 DRD2 (0.39) KMT2ABRD4ADORA3ADORA2AADORA2B
SCHEMBL6287203 0.70 SMN1; SMN2 (0.44) KMT2ACYP1A2CYP2C19SMN1; SMN2NPC1
SCHEMBL6286487 0.70 DHODH (0.44) KMT2APIN1CYP1A2MAPK1CASP1
SCHEMBL6278926 0.67 KMT2A (0.46) KMT2ABRD4ADORA3ADORA2AADORA2B
SCHEMBL2271082 0.67 TP53 (0.41) KMT2APIN1BRD4ADORA3ADORA2A
SCHEMBL6285813 0.65 MAT2A (0.40) KMT2AMAPK1SMN1; SMN2NPC1TSHR
SCHEMBL4917283 0.64 SMN1; SMN2 (0.65) SMN1; SMN2NPC1TSHRRAB9AHPGD

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 1852/4885MAOA 207/4885PIN1 2698/4885
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 1852/4885MAOA 207/4885PIN1 2698/4885

“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.