SCHEMBL4164547

SCHEMBL4164547

Cc1cc(Nc2nccc(-c3sc(-c4cccnc4)nc3C)n2)ccc1N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.53
CDK2 P24941 11/20 0.50
CCNA2 P20248 4/20 0.50
CCNA1 P78396 2/20 0.50
ABL1 P00519 6/20 0.49
BCR P11274 5/20 0.49
CDK9 P50750 7/20 0.47
CDK1 P06493 4/20 0.47
CCNT1 O60563 4/20 0.47
CDK7 P50613 3/20 0.47
CCNB1 P14635 1/20 0.47
CCNH P51946 1/20 0.47
PRKCA P17252 1/20 0.46
EGFR P00533 2/20 0.45
AURKA O14965 5/20 0.45
AURKB Q96GD4 5/20 0.45
CDK4 P11802 5/20 0.45
CCNE1 P24864 3/20 0.44
JAK2 O60674 3/20 0.44
JAK3 P52333 3/20 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
SCHEMBL4176513 0.87 CDK2 (0.60) ACVR1CDK2CCNA2ABL1BCR
SCHEMBL4164090 0.84 CDK2 (0.61) CDK2CDK9CDK1CDK7AURKA
SCHEMBL4173630 0.84 CDK2 (0.55) ACVR1CDK2CCNA2CCNA1ABL1
SCHEMBL4168933 0.83 CDK2 (0.62) ACVR1CDK2CCNA2CCNA1ABL1
SCHEMBL4170629 0.82 IGF1R (0.53) ACVR1CDK2CCNA2CCNA1ABL1
SCHEMBL4168504 0.81 CDK2 (0.65) ACVR1CDK2CCNA2CCNA1ABL1
SCHEMBL4170636 0.81 PRKCA (0.54) CDK2ABL1BCRCDK9CDK1
SCHEMBL4173619 0.80 CDK2 (0.47) ACVR1CDK2CCNA2CCNA1ABL1
SCHEMBL4164505 0.80 CDK2 (0.58) ACVR1CDK2CCNA2ABL1BCR
SCHEMBL4173509 0.80 CDK2 (0.71) ACVR1CDK2CCNA2ABL1BCR

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 8 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
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 ACVR1 3255/4885CDK2 1/4885CCNA2 25/4885

“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.