SCHEMBL7144547

SCHEMBL7144547

CNc1c(N)nn(C)c1N.Cn1nc(N)c(N)c1N

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 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
SCHEMBL34103 0.92 CCNT1 (0.38) CCNT1CDK1CDK4CCNB1CCND1
SCHEMBL33726 0.82
Sulfuric Acid SCHEMBL7778359 0.81 CCNT1 (0.33) CCNT1CDK1CDK4CCNB1CCND1
SCHEMBL20136162 0.75 CDK1 (0.35) CDK1
SCHEMBL19313228 0.74 PKM (0.44) CCNT1CDK1CDK4CCNB1CCND1
SCHEMBL7643598 0.67 CCNT1 (0.30) CCNT1CDK1CDK4CCNB1CCND1
SCHEMBL14321629 0.67 CCNT1 (0.33) CCNT1CDK1CDK4CCNB1CCND1
SCHEMBL1701046 0.67 CCNT1 (0.33) CCNT1CDK1CDK4CCNB1CCND1
SCHEMBL5317787 0.65 ILK (0.36)
SCHEMBL219198 0.61

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030074747-A1 Composition for the oxidation dyeing of keratin fibres, comprising at least one fatty alcohol chosen from mono- and polyglycerolated fatty alcohols and a particular polyol L'OREAL S.A. (FR) 2003-04-24 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-20030074747-A1 Composition for the oxidation dyeing of keratin fibres, comprising at least one fatty alcohol chosen from mono- and polyglycerolated fatty alcohols and a particular polyol KRT18, FASN, GK CCNT1 3119/4885CDK1 4596/4885CDK4 4469/4885

“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.