SCHEMBL15940652

SCHEMBL15940652

c1cnn(-c2ccc(CNc3nc(N4CCNCC4)nc4c3ncn4C3CCCC3)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNK O75909 6/20 0.57
CDK12 Q9NYV4 6/20 0.57
CDK1 P06493 5/20 0.52
CCNE1 P24864 4/20 0.52
CDK2 P24941 4/20 0.52
CDK5 Q00535 2/20 0.50
CCNE2 O96020 1/20 0.48
CCNA2 P20248 1/20 0.48
CCNA1 P78396 1/20 0.48
FLT3 P36888 2/20 0.47
CSNK1E P49674 1/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CDK7 P50613 1/20 0.46
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CTSL P07711 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
SCHEMBL15942404 0.91 FLT3 (0.59) CCNKCDK12CDK1CCNE1CDK2
SCHEMBL15940881 0.91 CCNK (0.59) CCNKCDK12CDK1CCNE1CDK2
SCHEMBL15940971 0.90 CDK1 (0.64) CCNKCDK12CDK1CCNE1CDK2
SCHEMBL28037927 0.89 CCNK (0.61) CCNKCDK12CDK1CCNE1CDK2
SCHEMBL15941334 0.88 CCNK (0.60) CCNKCDK12CDK1CCNE1CDK2
SCHEMBL17352580 0.86 CCNE1 (0.56) CCNKCDK12CDK1CCNE1CDK2
SCHEMBL15940732 0.84 CCNK (0.56) CCNKCDK12CDK1CCNE1CDK2
SCHEMBL25022950 0.84 CSNK1E (0.50) CDK1CCNE1CDK2CDK5CCNE2
SCHEMBL17352653 0.83 CDK1 (0.54) CDK1CCNE1CDK2CDK5CSNK1E
SCHEMBL15941101 0.80 CDK1 (0.65) CDK1CCNE1CDK2CDK5CSNK1E

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 4 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
CN-105026396-A 2-substituted-6-biarylmethylamino-9-cyclopentyl-9h-purine derivatives, use thereof as medicaments, and pharmaceutical compositions UNIV PALACKEHO 2015-11-04 CN 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 CCNK 404/4885CDK12 1243/4885CDK1 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.