SCHEMBL6287768

SCHEMBL6287768

Cc1nn2nc(-c3ccccc3)[nH]c2c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.40
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
CDK8 P49336 1/20 0.39
ACVR1 Q04771 1/20 0.39
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 1/20 0.38
RPS6KA3 P51812 1/20 0.37
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL6283327 0.83 ALDH1A1 (0.44) SMN1; SMN2MAPTL3MBTL1ALDH1A1HPGD
SCHEMBL14583514 0.83 POLB (0.41) SMN1; SMN2MAPTL3MBTL1POLBALDH1A1
SCHEMBL14556782 0.81 POLB (0.39) SMN1; SMN2MAPTL3MBTL1POLBALDH1A1
SCHEMBL6286486 0.77 PIN1 (0.45) SMN1; SMN2MAPTALDH1A1HPGDMEN1
SCHEMBL6286047 0.77 ADORA2A (0.37) SMN1; SMN2MAPTPOLBALDH1A1HPGD
SCHEMBL6286083 0.77 ALDH1A1 (0.39) SMN1; SMN2MAPTALDH1A1HPGDMEN1
SCHEMBL2267807 0.72 NPY5R (0.37) SMN1; SMN2MAPTALDH1A1HPGDMEN1
SCHEMBL14556396 0.72 POLB (0.39) SMN1; SMN2MAPTL3MBTL1POLBALDH1A1
SCHEMBL2269159 0.71 ALDH1A1 (0.32) L3MBTL1ALDH1A1
SCHEMBL6288020 0.71 KDM4E (0.41) SMN1; SMN2MAPTPOLBCDK8ACVR1

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 SMN1; SMN2 4865/4885MAPT 2441/4885L3MBTL1 4697/4885
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 SMN1; SMN2 4865/4885MAPT 2441/4885L3MBTL1 4697/4885

“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.