SCHEMBL5039879

SCHEMBL5039879

CCNc1cc2sc(N)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
PIP5K1C O60331 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
DRD2 P14416 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 3/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5039631 0.80 ALDH1A1 (0.40) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL5040075 0.80 CYP2D6 (0.37) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL10784619 0.74 SMN1; SMN2 (0.40) PIK3CDPIP5K1CPIK3CAPIK3CBPI4KA
SCHEMBL5036328 0.72 POLB (0.41) PIK3CDPIP5K1CPIK3CAPIK3CBPI4KA
SCHEMBL5036674 0.71 GAA (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL5039517 0.70 MAPT (0.31) PIK3CGSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL5036925 0.70 MAPT (0.36) ALDH1A1MAPT
SCHEMBL10790337 0.70 ALDH1A1 (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL10786989 0.68 SMN1; SMN2 (0.38) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL5036562 0.68 PIK3CD (0.44) PIK3CDPIP5K1CPIK3CAPIK3CBPI4KA

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 PIK3CD 2332/4885PIP5K1C 1351/4885PIK3CA 2391/4885

“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.