SCHEMBL15940692

SCHEMBL15940692

CN1CCN(c2nc(NCc3ccc(-c4ccc(C(=O)O)cc4)nc3)c3ncn(C4CCCC4)c3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 15/20 0.53
CCNE1 P24864 11/20 0.53
CDK2 P24941 11/20 0.53
FLT3 P36888 1/20 0.51
CDK5 Q00535 3/20 0.49
CDK7 P50613 3/20 0.48
CSNK1E P49674 2/20 0.48
CLK1 P49759 2/20 0.48
CLK2 P49760 2/20 0.48
DYRK1A Q13627 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
CCNH P51946 1/20 0.46
MNAT1 P51948 1/20 0.46
CDK5R1 Q15078 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL15940956 0.92 CDK1 (0.55) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15940897 0.92 CDK7 (0.57) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL17352520 0.91 CDK1 (0.53) CDK1CCNE1CDK2CDK5CDK7
SCHEMBL15942397 0.91 FLT3 (0.54) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15941030 0.88 CDK7 (0.50) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15941466 0.85 CDK2 (0.66) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15940710 0.85 CDK1 (0.65) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15941061 0.84 CDK1 (0.65) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15941079 0.84 CSNK1E (0.61) CDK1CCNE1CDK2FLT3CDK5
SCHEMBL15942090 0.83 FLT3 (0.54) 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.