SCHEMBL5156942

SCHEMBL5156942

Nc1nc(-c2cccs2)c(N)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.56
CDK5R1 Q15078 1/20 0.56
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ADORA2A P29274 4/20 0.46
DHFR P00374 1/20 0.46
NPC1 O15118 4/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
RPS6KB2 Q9UBS0 2/20 0.44
NOS1 P29475 1/20 0.44
RAB9A P51151 3/20 0.44
GLA P06280 2/20 0.44
LMNA P02545 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL1995043 0.73 CDK5 (1.00) CDK5CDK5R1NOS1ALDH1A1KDM4E
SCHEMBL3273070 0.69 CDK5 (0.48) CDK5CDK5R1MEN1KMT2AADORA2A
SCHEMBL10036328 0.69 XDH (0.57) CDK5CDK5R1MEN1KMT2AADORA2A
SCHEMBL624711 0.69 MEN1 (0.45) CDK5CDK5R1MEN1KMT2AADORA2A
SCHEMBL28454459 0.69 RPS6KB2 (0.50) MEN1KMT2AADORA2ADHFRNPC1
SCHEMBL5157870 0.68 XDH (0.59) CDK5CDK5R1ADORA2ANPC1HSD17B10
SCHEMBL22977618 0.68 KDM4E (0.47) CDK5CDK5R1MEN1KMT2AADORA2A
SCHEMBL5154800 0.68 MEN1 (0.51) CDK5CDK5R1MEN1KMT2AADORA2A
SCHEMBL5154346 0.68 MEN1 (0.71) CDK5CDK5R1MEN1KMT2AADORA2A
SCHEMBL978698 0.68 DHFR (0.56) CDK5CDK5R1MEN1KMT2AADORA2A

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
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 CDK5 534/4885CDK5R1 1414/4885MEN1 4871/4885

“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.