SCHEMBL6279835

SCHEMBL6279835

Nc1c(-c2ccccc2)nn2c1N=CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
NR4A2 P43354 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C9 P11712 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGER1 P34995 1/20 0.35
ADORA2A P29274 4/20 0.34
ADORA1 P30542 3/20 0.34
CSNK1A1 P48729 2/20 0.34

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 0.73 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL6287824 0.72 SMN1; SMN2 (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL2265850 0.67 SMN1; SMN2 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL4913392 0.64 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL33804 0.63 MAPT (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL4914514 0.63 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL6285815 0.62 HPGD (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL1800736 0.62 NPC1 (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6259439 0.62 MAPT (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL13860397 0.62 CDK8 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA

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 ALDH1A1 264/4885KDM4E 1907/4885HPGD 806/4885

“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.