SCHEMBL15941018

SCHEMBL15941018

c1ccc(-c2ccc(CNc3nc(N4CCNCC4)nc4c3ncn4C3CCCC3)cc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.61
CCNE1 P24864 10/20 0.61
CDK1 P06493 8/20 0.61
CDK5 Q00535 7/20 0.60
CTSL P07711 1/20 0.51
CCNA2 P20248 2/20 0.51
CCNA1 P78396 2/20 0.51
CCNE2 O96020 1/20 0.51
DYRK1A Q13627 2/20 0.49
CCNT1 O60563 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CDK9 P50750 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CSNK1E P49674 1/20 0.48
CLK1 P49759 1/20 0.48
CLK2 P49760 1/20 0.48
CDK7 P50613 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL17352653 0.91 CDK1 (0.54) CDK2CCNE1CDK1CDK5CTSL
SCHEMBL17352660 0.90 CDK2 (0.63) CDK2CCNE1CDK1CDK5CTSL
SCHEMBL27139998 0.89 CDK1 (0.61) CDK2CCNE1CDK1CDK5CTSL
SCHEMBL15941328 0.87 CDK2 (0.62) CDK2CCNE1CDK1CDK5CTSL
SCHEMBL15941368 0.86 CDK1 (0.65) CDK2CCNE1CDK1CDK5CTSL
SCHEMBL17352651 0.86 CDK1 (0.64) CDK2CCNE1CDK1CDK5CTSL
SCHEMBL17352514 0.85 CDK2 (0.66) CDK2CCNE1CDK1CDK5CTSL
SCHEMBL15940969 0.85 CDK1 (0.65) CDK2CCNE1CDK1CDK5CTSL
SCHEMBL15940768 0.84 CCNE1 (0.65) CDK2CCNE1CDK1CDK5CTSL
SCHEMBL15940705 0.84 CDK1 (0.64) CDK2CCNE1CDK1CDK5CTSL

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 CDK2 356/4885CCNE1 2605/4885CDK1 856/4885

“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.