SCHEMBL15940869

SCHEMBL15940869

O=C(O)c1ccc(-c2ccc(CNc3nc(N4CCNCC4)nc4c3ncn4C3CCCC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.57
CDK5 Q00535 2/20 0.57
CDK2 P24941 7/20 0.52
CCNE1 P24864 6/20 0.52
CCNE2 O96020 2/20 0.51
CCNA2 P20248 2/20 0.51
CCNA1 P78396 2/20 0.51
CSNK1E P49674 2/20 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
CTSL P07711 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
FLT3 P36888 2/20 0.46

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
SCHEMBL17352520 0.92 CDK1 (0.53) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL15940956 0.90 CDK1 (0.55) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL17352664 0.90 FLT3 (0.58) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL27139998 0.89 CDK1 (0.61) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL15941079 0.88 CSNK1E (0.61) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL15940749 0.85 CDK2 (0.61) CDK1CDK2CCNE1CCNE2CCNA2
SCHEMBL15940771 0.85 CDK1 (0.64) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL15941096 0.85 CDK1 (0.64) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL17352651 0.84 CDK1 (0.64) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL17352593 0.84 CSNK1E (0.53) CDK1CDK5CDK2CCNE1CCNE2

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 856/4885CDK5 470/4885CDK2 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.