SCHEMBL6287777

SCHEMBL6287777

Cc1nn2[nH]c(-c3ccccc3)nc2c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.41
KDM4E B2RXH2 7/20 0.41
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 5/20 0.40
HPGD P15428 5/20 0.40
HTT P42858 4/20 0.40
MAPT P10636 3/20 0.40
HCRTR1 O43613 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX12 P18054 1/20 0.39
CDK8 P49336 1/20 0.38
ACVR1 Q04771 1/20 0.38
CYP1A2 P05177 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CYP2C9 P11712 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
SCHEMBL6283336 0.84 MEN1 (0.42) SMN1; SMN2KDM4ERAB9AALDH1A1NPC1
SCHEMBL6286492 0.78 PIN1 (0.44) SMN1; SMN2KDM4EALDH1A1NPC1HPGD
SCHEMBL6286052 0.77 ADORA1 (0.39) SMN1; SMN2KDM4EALDH1A1NPC1HPGD
SCHEMBL6286090 0.77 ALDH1A1 (0.38) SMN1; SMN2KDM4ERAB9AALDH1A1NPC1
SCHEMBL2269168 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6288027 0.75 KMT2A (0.40) SMN1; SMN2KDM4ERAB9AALDH1A1NPC1
SCHEMBL6288022 0.72 KDM4E (0.40) SMN1; SMN2KDM4ERAB9AALDH1A1NPC1
SCHEMBL6287772 0.72 NR1H2 (0.44) RAB9AALDH1A1NPC1HTTMEN1
SCHEMBL3943337 0.72 HSD17B10 (0.37) SMN1; SMN2KDM4ERAB9AALDH1A1NPC1
SCHEMBL2267810 0.71 MEN1 (0.41) SMN1; SMN2KDM4ERAB9AALDH1A1NPC1

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 4865/4885KDM4E 1907/4885RAB9A 2652/4885
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 4865/4885KDM4E 1907/4885RAB9A 2652/4885

“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.