SCHEMBL5040281

SCHEMBL5040281

N#Cc1sc2c(C#N)c(N)sc2c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 2/20 0.37
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
PABPC1 P11940 1/20 0.35
CASP1 P29466 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM6 O15303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KRAS P01116 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
SCHEMBL9872497 0.77 BPTF (0.42) BPTFALDH1A1HSD17B10MAPTMAPK1
SCHEMBL11064868 0.70 BPTF (0.48) BPTFALDH1A1HSD17B10MAPTMAPK1
SCHEMBL21122265 0.70 ALDH1A1 (0.41) BPTFALDH1A1HSD17B10MAPTMAPK1
SCHEMBL10288390 0.64 BPTF (0.39) BPTFALDH1A1HSD17B10MAPTMAPK1
SCHEMBL10308584 0.64 ALDH1A1 (0.44) BPTFALDH1A1HSD17B10MAPTMAPK1
SCHEMBL24488063 0.63 L3MBTL1 (0.42) BPTFALDH1A1HSD17B10MAPTMAPK1
SCHEMBL9493186 0.63 ALDH1A1 (0.38) BPTFALDH1A1HSD17B10MAPTMAPK1
SCHEMBL28027611 0.62 KDM4E (0.40) ALDH1A1HSD17B10MAPTMAPK1ALOX15
SCHEMBL24789638 0.62 TRPV4 (0.33) BPTFALDH1A1HSD17B10MAPTMAPK1
SCHEMBL24616473 0.60 GRM6 (0.44) BPTFALDH1A1HSD17B10MAPTMAPK1

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 BPTF 2590/4885ALDH1A1 492/4885HSD17B10 342/4885

“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.