SCHEMBL6205025

SCHEMBL6205025

CCN(CC)c1ncnc2c(N)n[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.48
FFAR2 O15552 6/20 0.45
ALOX15 P16050 1/20 0.36
MAP3K5 Q99683 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ADORA2A P29274 3/20 0.32
PGK1 P00558 1/20 0.32
ADORA1 P30542 2/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32

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
SCHEMBL6672924 0.81 CHEK1 (0.43) FFAR2CYP1A2LRRK2
SCHEMBL6155249 0.74 LIMK1 (0.44) LMNAADORA2AADORA1PI4KAPI4K2B
Hydrochloric Acid SCHEMBL7166188 0.73 PI4KA (0.45) LMNAADORA2AADORA1PI4KAPI4K2B
SCHEMBL10664748 0.70 SMN1; SMN2 (0.42) HTTSMN1; SMN2LMNAFFAR2ALOX15
SCHEMBL6322370 0.68 DYRK1A (0.34) LMNAPI4KAPI4K2BPI4K2API4KB
SCHEMBL21539447 0.66 MTAP (0.39) LMNAADORA2AADORA1PI4KAPI4K2B
SCHEMBL14074704 0.66 FFAR2 (0.33) FFAR2
SCHEMBL9203283 0.65 HTT (0.76) HTTSMN1; SMN2LMNAMAP3K5ALDH1A1
SCHEMBL5019515 0.65 HTT (0.41) HTTSMN1; SMN2LMNAFFAR2ALOX15
SCHEMBL9124561 0.63 SMN1; SMN2 (0.44) HTTSMN1; SMN2LMNAFFAR2ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551825-A1 NOVEL DIRECT BLACK DYES WITH THREE HETEROAROMATIC RINGS L'OREAL (FR) 2005-07-13 EP disclosed
US-20050060815-A1 Novel heteroaromatic trinuclear black direct dyes L'OREAL S.A. (FR) 2005-03-24 US disclosed
WO-2004031173-A1 NOVEL DIRECT BLACK DYES WITH THREE HETEROAROMATIC RINGS L'OREAL (FR) 2004-04-15 WO 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-20050060815-A1 Novel heteroaromatic trinuclear black direct dyes KRT18, MKI67, TUBA4A HTT 845/4885SMN1; SMN2 4097/4885LMNA 846/4885

“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.