SCHEMBL5036609

SCHEMBL5036609

CCNc1nc2[nH]c(N)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.47
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 6/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
BRCA1 P38398 1/20 0.35
HTT P42858 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ILK Q13418 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL5039608 0.81 SHMT2 (0.42) SHMT2CCNA2CDK2POLBKMT2A
SCHEMBL5044350 0.81 POLB (0.38) SHMT2POLBKMT2AMEN1RAB9A
SCHEMBL5039994 0.72 ALDH1A1 (0.39) MAPTKMT2ARAB9ANPC1HTT
SCHEMBL5036328 0.71 POLB (0.41) SHMT2CCNA2CDK2POLBMAPT
SCHEMBL4500811 0.71 NPC1 (0.50) SHMT2POLBMAPTKMT2AMEN1
SCHEMBL5036562 0.70 PIK3CD (0.44) SHMT2MAPTRAB9ANPC1HTT
SCHEMBL4513162 0.69 POLB (0.49) SHMT2POLBMAPTKMT2AMEN1
SCHEMBL5039578 0.69 GAA (0.32) HTTGAAL3MBTL1PDE3BPDE3A
SCHEMBL5039606 0.69 CCNA2 (0.37) SHMT2CCNA2CDK2POLBMAPT
SCHEMBL7984841 0.69 SMN1; SMN2 (0.56) POLBMAPTKMT2AMEN1RAB9A

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 8 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
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US 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 SHMT2 1000/4885CCNA2 1533/4885CDK2 1183/4885

“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.