SCHEMBL4158723

SCHEMBL4158723

CNc1nc(C)c(-c2ccnc(Nc3cccc(N4CCN(C(C)=O)CC4)c3)n2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 19/20 1.00
CDK2 P24941 19/20 1.00
CCNT1 O60563 14/20 1.00
CCNA2 P20248 14/20 1.00
CDK7 P50613 10/20 0.81
CDK1 P06493 9/20 0.81
CDK4 P11802 6/20 0.81
AURKA O14965 5/20 0.81
AURKB Q96GD4 5/20 0.81
WEE1 P30291 2/20 0.81
ALK Q9UM73 2/20 0.81
CCNB1 P14635 6/20 0.72
CCNH P51946 6/20 0.72
CCNA1 P78396 4/20 0.72
CHEK1 O14757 1/20 0.67
DAPK3 O43293 1/20 0.67
JAK2 O60674 1/20 0.67
PRKD3 O94806 1/20 0.67
MAP4K4 O95819 1/20 0.67
PAK4 O96013 1/20 0.67

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
SCHEMBL4172443 0.90 CDK2 (0.82) CDK9CDK2CCNT1CCNA2CDK7
SCHEMBL2075827 0.89 CDK2 (1.00) CDK9CDK2CCNT1CCNA2CDK7
SCHEMBL27664773 0.87 CDK2 (0.78) CDK9CDK2CCNT1CCNA2CDK7
SCHEMBL27664830 0.87 CDK2 (0.77) CDK9CDK2CCNT1CCNA2CDK7
SCHEMBL4158701 0.86 CDK2 (0.93) CDK9CDK2CCNT1CCNA2CDK7
SCHEMBL5159347 0.85 CDK2 (0.75) CDK9CDK2CCNT1CCNA2CDK7
SCHEMBL4160950 0.84 CDK9 (0.83) CDK9CDK2CCNT1CCNA2CDK7
SCHEMBL27664777 0.84 CDK2 (0.72) CDK9CDK2CCNT1CCNA2CDK7
SCHEMBL2088831 0.83 CDK2 (0.72) CDK9CDK2CCNT1CCNA2CDK7
SCHEMBL20452030 0.83 CDK2 (0.83) CDK9CDK2CCNT1CCNA2CDK7

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
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 CDK9 34/4885CDK2 1/4885CCNT1 107/4885

“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.