SCHEMBL5044358

SCHEMBL5044358

Cc1cc2c(ncn2C)o1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.34
HTR2C P28335 1/20 0.32
PIK3CB P42338 1/20 0.32
MAPT P10636 2/20 0.31
THRB P10828 1/20 0.31
GRM5 P41594 1/20 0.31
ALDH1A1 P00352 3/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
NQO1 P15559 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
SCHEMBL5046342 0.78 DYRK1A (0.33) DYRK1AMAPTTHRBGRM5ALDH1A1
SCHEMBL5036526 0.78 DYRK1A (0.40) DYRK1APIK3CBGRM5
SCHEMBL5039530 0.75 DYRK1A (0.32) DYRK1AGRM5GAA
SCHEMBL5039520 0.67 ALDH1A1 (0.40) DYRK1AHTR2CMAPTALDH1A1PKM
SCHEMBL5036416 0.64
SCHEMBL19267535 0.62 CHRNB2 (0.52) DYRK1AMAPTGRM5ALDH1A1KDM4E
SCHEMBL7916582 0.62 HRH4 (0.38) DYRK1AMAPTGRM5ALDH1A1KDM4E
SCHEMBL10238695 0.62 GRM5 (0.41) DYRK1AMAPTGRM5ALDH1A1KDM4E
SCHEMBL12341865 0.61 DYRK1A (0.51) DYRK1APIK3CBMAPTGRM5ALDH1A1
SCHEMBL25100588 0.61 MAPT (0.33) DYRK1AHTR2CMAPTNPC1RAB9A

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 DYRK1A 1798/4885HTR2C 3342/4885PIK3CB 1352/4885

“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.