SCHEMBL3298389

SCHEMBL3298389

Cc1cccc(CNc2nc(F)nc3c2ncn3C(C)C)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.65
CDK9 P50750 1/20 0.65
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CDK1 P06493 16/20 0.52
CDK5 Q00535 2/20 0.52
CCNK O75909 1/20 0.52
CDK12 Q9NYV4 1/20 0.52
CDK4 P11802 9/20 0.48
CCND1 P24385 9/20 0.48
CCNE1 P24864 9/20 0.48
CDK7 P50613 9/20 0.48
CCNH P51946 9/20 0.48
CCNB1 P14635 8/20 0.48
MAPK1 P28482 4/20 0.48
CSNK1D P48730 1/20 0.47
CLK2 P49760 1/20 0.47
DYRK1A Q13627 1/20 0.47

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
SCHEMBL4484470 0.85 CDK1 (0.64) CDK2KDM4ENPC1MAPTTDP1
SCHEMBL3851604 0.81 TDP1 (0.78) CDK2KDM4ENPC1MAPTTDP1
SCHEMBL3302791 0.81 CDK2 (0.63) CDK2CDK9KDM4ENPC1MAPT
SCHEMBL3300764 0.80 CDK2 (0.65) CDK2CDK9KDM4ENPC1MAPT
SCHEMBL3295958 0.80 CDK2 (0.68) CDK2CDK9KDM4ENPC1MAPT
SCHEMBL3299528 0.79 CDK2 (0.66) CDK2CDK9KDM4ENPC1MAPT
SCHEMBL3301216 0.79 CDK2 (1.00) CDK2CDK9CDK1CDK5CDK4
SCHEMBL3295975 0.78 CDK2 (0.66) CDK2CDK9KDM4ENPC1MAPT
SCHEMBL3298667 0.78 CDK1 (0.63) CDK2CDK9KDM4ENPC1MAPT
SCHEMBL3299543 0.77 CDK2 (0.70) CDK2CDK9KDM4ENPC1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592581-B2 Trisubstituted purine derivatives CYCLACEL LIMITED (GB) 2013-11-26 US disclosed
CN-101679434-B 2, 6, 9-substituted purine derivatives having anti proliferative properties CYCLACEL LTD 2013-09-25 CN disclosed
EP-2139893-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES CYCLACEL LTD (GB) 2013-06-19 EP disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
CN-101679434-A Has 2,6 of anti proliferative properties, the purine derivative that 9-replaces CYCLACEL LTD 2010-03-24 CN disclosed
EP-2139893-A2 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES Cyclacel Limited (GB) 2010-01-06 EP disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 WO disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 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-20100093769-A1 COMPOUNDS CCR9, NPY1R, BCL9 CDK2 1751/4885CDK9 57/4885KDM4E 1008/4885

“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.