SCHEMBL5504239

SCHEMBL5504239

CCNc1nc2c(N)ccc(N)c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
MAPT P10636 5/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.40
MAPK1 P28482 1/20 0.40
BRCA1 P38398 1/20 0.40
HTT P42858 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SHMT2 P34897 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL5507645 0.79 IKBKB (0.41) POLBCCNA2CDK2MAPTKMT2A
SCHEMBL5502179 0.75 SMN1; SMN2 (0.39) POLBCCNA2CDK2MAPTRAB9A
SCHEMBL5505190 0.74 KDM4E (0.35) MAPK1SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL5508010 0.74 TLR8 (0.51) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL5510300 0.73 KDM4E (0.40) POLBCCNA2CDK2MAPTKMT2A
SCHEMBL5501897 0.71 TLR8 (0.47) CDK2MAPTRAB9ANPC1MAPK1
SCHEMBL5507282 0.70 KDM4E (0.33) POLBMAPTHTTALDH1A1KDM4E
SCHEMBL5510456 0.70 TP53 (0.36) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL5506839 0.70 HSD17B10 (0.39) POLBMAPTKMT2ARAB9AMEN1
SCHEMBL5505676 0.70 SMN1; SMN2 (0.52) POLBMAPTKMT2AMEN1MAPK1

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-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP claimed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO claimed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 US claimed
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP disclosed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO disclosed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 US 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-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, DSP, KRTCAP2 POLB 874/4885CCNA2 2304/4885CDK2 1432/4885

“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.