SCHEMBL4176513

SCHEMBL4176513

Cc1nc(-c2cccnc2)sc1-c1ccnc(Nc2ccc(N3CCCC3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.60
AURKA O14965 10/20 0.60
AURKB Q96GD4 10/20 0.60
CDK4 P11802 7/20 0.60
CCNE1 P24864 3/20 0.60
CDK9 P50750 10/20 0.59
CDK1 P06493 4/20 0.59
WEE1 P30291 5/20 0.58
ACVR1 Q04771 5/20 0.58
CDK7 P50613 5/20 0.58
JAK2 O60674 5/20 0.58
FLT3 P36888 4/20 0.58
ALK Q9UM73 4/20 0.58
ABL1 P00519 4/20 0.58
CHEK1 O14757 3/20 0.58
DAPK3 O43293 3/20 0.58
PRKD3 O94806 3/20 0.58
PAK4 O96013 3/20 0.58
FYN P06241 3/20 0.58
CSF1R P07333 3/20 0.58

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
SCHEMBL4164505 0.93 CDK2 (0.58) CDK2AURKAAURKBCDK4CCNE1
SCHEMBL4173509 0.93 CDK2 (0.71) CDK2AURKAAURKBCDK4CCNE1
SCHEMBL4162602 0.89 CDK2 (0.73) CDK2AURKAAURKBCDK4CCNE1
SCHEMBL5161854 0.88 GSK3B (0.57) CDK2AURKAAURKBCDK4CCNE1
SCHEMBL4164547 0.87 ACVR1 (0.53) CDK2AURKAAURKBCDK4CCNE1
SCHEMBL28765375 0.86 CDK2 (0.56) CDK2AURKAAURKBCDK4CCNE1
SCHEMBL28765378 0.86 CDK2 (0.54) CDK2AURKAAURKBCDK4CCNE1
SCHEMBL27720404 0.85 CDK2 (0.67) CDK2AURKAAURKBCDK4CCNE1
SCHEMBL6156440 0.84 CDK2 (0.67) CDK2AURKAAURKBCDK4CCNE1
SCHEMBL4160087 0.83 CDK2 (0.71) CDK2AURKAAURKBCDK4CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 CDK2 1/4885AURKA 271/4885AURKB 177/4885

“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.