SCHEMBL3673902

SCHEMBL3673902

CC(C)n1cnc2c(NCc3ccc(C(F)(F)F)nc3)nc(F)nc21

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.68
CDK9 P50750 5/20 0.68
CDK1 P06493 10/20 0.60
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 2/20 0.57
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 2/20 0.53
CDK5 Q00535 3/20 0.52
CDK5R1 Q15078 2/20 0.51

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
SCHEMBL3300764 0.86 CDK2 (0.65) CDK2CDK9CDK1KDM4ENPC1
SCHEMBL14039519 0.81 CDK2 (1.00) CDK2CDK9CDK1CDK5
SCHEMBL3305271 0.81 CDK2 (1.00) CDK2CDK9CDK1CDK5
SCHEMBL3851604 0.81 TDP1 (0.78) CDK2CDK1KDM4ENPC1MAPT
SCHEMBL3299543 0.81 CDK2 (0.70) CDK2CDK9CDK1KDM4ENPC1
SCHEMBL13389932 0.81 CDK2 (0.89) CDK2CDK9CDK1CDK5
SCHEMBL3298667 0.80 CDK1 (0.63) CDK2CDK9CDK1KDM4ENPC1
SCHEMBL3302791 0.78 CDK2 (0.63) CDK2CDK9CDK1KDM4ENPC1
SCHEMBL3295958 0.78 CDK2 (0.68) CDK2CDK9CDK1KDM4ENPC1
SCHEMBL3295975 0.76 CDK2 (0.66) CDK2CDK9CDK1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 57/4885CDK1 512/4885

“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.