SCHEMBL17352685

SCHEMBL17352685

c1coc(-c2ccc(CNc3nc(N4CCOCC4)nc4c3ncn4C3CCCC3)cn2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.67
CCNE1 P24864 10/20 0.67
CDK2 P24941 10/20 0.67
FLT3 P36888 5/20 0.56
CDK5 Q00535 3/20 0.49
CDK7 P50613 2/20 0.48
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
CCNH P51946 1/20 0.48
MNAT1 P51948 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CSNK1E P49674 1/20 0.47
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL15940743 0.91 CDK1 (0.68) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15941396 0.91 CDK1 (0.66) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15941214 0.89 CDK1 (0.65) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15940839 0.86 CDK1 (0.66) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15942367 0.86 CDK1 (0.65) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15941051 0.85 CDK1 (0.73) CDK1CCNE1CDK2CDK5CDK7
SCHEMBL15942142 0.85 CDK1 (0.66) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL17352559 0.85 CDK2 (0.65) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15940636 0.85 CDK1 (0.60) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15942179 0.84 CCNE1 (0.66) CDK1CCNE1CDK2FLT3CDK7

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-20150368248-A1 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS BIOPATTERNS S.R.O. (CZ) 2015-12-24 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-20150368248-A1 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS ENTPD5, PNP, HCCS CDK1 856/4885CCNE1 2605/4885CDK2 356/4885

“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.