SCHEMBL15940669

SCHEMBL15940669

CN1CCN(c2nc(NCc3ccc(-c4cccs4)cc3)c3ncn(C4CCCC4)c3n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.65
CCNE1 P24864 7/20 0.65
CDK2 P24941 7/20 0.65
FLT3 P36888 1/20 0.55
CDK5 Q00535 2/20 0.53
CSNK1E P49674 3/20 0.50
CLK1 P49759 2/20 0.50
CLK2 P49760 2/20 0.50
CDK7 P50613 2/20 0.50
DYRK1A Q13627 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CCNE2 O96020 2/20 0.49
CCNA2 P20248 2/20 0.49
CCNA1 P78396 2/20 0.49
CTSL P07711 2/20 0.49
CSNK1D P48730 1/20 0.48

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
SCHEMBL15941006 0.91 CDK1 (0.61) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15940705 0.91 CDK1 (0.64) CDK1CCNE1CDK2CDK5CSNK1E
SCHEMBL17352674 0.91 CDK1 (0.64) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15940759 0.90 CDK1 (0.66) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15940840 0.87 CDK1 (0.56) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15941172 0.86 CDK1 (0.64) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15940811 0.85 CDK1 (0.65) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL17352660 0.85 CDK2 (0.63) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL17352589 0.84 CDK1 (0.65) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15940954 0.84 CDK1 (0.64) CDK1CCNE1CDK2FLT3CDK5

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 3 patents. 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
EP-2953951-A2 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS Univerzita palackeho V Olomouci (CZ) 2015-12-16 EP disclosed
WO-2014121764-A2 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2014-08-14 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-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.