SCHEMBL4151989

SCHEMBL4151989

Cc1nc(NCCc2ccccc2)sc1-c1ccnc(Nc2ccc3c(c2)OCCO3)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.51
CDK4 P11802 10/20 0.51
CDK9 P50750 9/20 0.51
AURKA O14965 4/20 0.51
AURKB Q96GD4 4/20 0.51
GSK3B P49841 5/20 0.49
CDK1 P06493 7/20 0.47
CDK7 P50613 6/20 0.47
WEE1 P30291 1/20 0.46
FLT3 P36888 1/20 0.46
ALK Q9UM73 1/20 0.46
CCNA2 P20248 6/20 0.46
PLK1 P53350 1/20 0.46
CCNT1 O60563 5/20 0.45
CCNB1 P14635 4/20 0.44
CCNH P51946 4/20 0.44
CCNA1 P78396 2/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
DYRK1A Q13627 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
SCHEMBL4156636 0.86 CDK2 (0.66) CDK2CDK4CDK9AURKAAURKB
SCHEMBL4167924 0.82 CDK2 (0.76) CDK2CDK4CDK9AURKAAURKB
SCHEMBL4171125 0.81 CDK2 (0.64) CDK2CDK4CDK9AURKAAURKB
SCHEMBL4175328 0.80 CDK2 (0.58) CDK2CDK4CDK9AURKAAURKB
SCHEMBL28772287 0.80 CDK2 (0.64) CDK2CDK4CDK9AURKAAURKB
SCHEMBL4162656 0.79 CDK2 (0.75) CDK2CDK4CDK9AURKAAURKB
SCHEMBL27664996 0.79 CDK2 (0.59) CDK2CDK4CDK9AURKAAURKB
SCHEMBL4165464 0.77 GSK3B (0.81) CDK2CDK4CDK9AURKAAURKB
SCHEMBL4159159 0.76 CDK9 (0.78) CDK2CDK4CDK9AURKAAURKB
SCHEMBL4164507 0.75 CDK4 (0.52) CDK2CDK4CDK9AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US claimed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP claimed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO claimed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 CDK2 1/4885CDK4 2/4885CDK9 34/4885

“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.