SCHEMBL5037247

SCHEMBL5037247

CCn1c(N)nc2[nH]c(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 3/20 0.35
RAD52 P43351 1/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 4/20 0.34
GAA P10253 4/20 0.34
GFER P55789 1/20 0.34
POLB P06746 1/20 0.33
TLR8 Q9NR97 5/20 0.32
TSHR P16473 2/20 0.32
ACSS2 Q9NR19 1/20 0.31
ADORA2A P29274 1/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL5039426 0.76 CLK4 (0.39) KDM4EPOLB
SCHEMBL5035985 0.64 HTT (0.46) CYP1A2CYP2D6HTTKDM4ERAD52
SCHEMBL5036545 0.64 HTT (0.46) CYP1A2CYP2D6HTTKDM4ERAD52
SCHEMBL6622952 0.64 HTT (0.57) CYP1A2CYP2D6HTTKDM4ERAD52
SCHEMBL16221732 0.63 HTT (0.53) CYP1A2CYP2D6HTTKDM4ERAD52
Dimethylamine SCHEMBL6930952 0.63 CYP1A2 (0.90) CYP1A2CYP2D6HTTKDM4EALDH1A1
SCHEMBL16221728 0.63 CYP1A2 (0.53) CYP1A2CYP2D6HTTKDM4ERAD52
SCHEMBL12598268 0.63 TLR8 (0.70) CYP1A2CYP2D6HTTKDM4ERAD52
SCHEMBL979555 0.62 HTT (0.60) CYP1A2CYP2D6HTTKDM4ERAD52
Dimethylamine SCHEMBL6934118 0.62 CYP1A2 (0.87) CYP1A2CYP2D6HTTKDM4EALDH1A1

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-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B CYP1A2 762/4885CYP2D6 1077/4885HTT 2883/4885

“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.