SCHEMBL5152607

SCHEMBL5152607

C[C@H](Nc1nc(Nc2ccc(S(N)(=O)=O)nc2)ncc1Br)C(C)(C)O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.70
CDK1 P06493 19/20 0.70
CDK2 P24941 18/20 0.70
CA2 P00918 2/20 0.55
CDK4 P11802 2/20 0.55
CDK7 P50613 2/20 0.55
CDK9 P50750 2/20 0.55
CCNT1 O60563 1/20 0.55
CCND1 P24385 1/20 0.55
CCNH P51946 1/20 0.55
CCNB1 P14635 1/20 0.54
CCNE1 P24864 1/20 0.54

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
SCHEMBL14367814 1.00 KDR (0.70) KDRCDK1CDK2CA2CDK4
SCHEMBL5153477 1.00 KDR (0.70) KDRCDK1CDK2CA2CDK4
SCHEMBL5152622 1.00 KDR (0.70) KDRCDK1CDK2CA2CDK4
SCHEMBL13648302 0.87 KDR (0.82) KDRCDK1CDK2CA2CDK4
SCHEMBL4061154 0.87 KDR (0.82) KDRCDK1CDK2CA2CDK4
SCHEMBL4592775 0.85 KDR (0.79) KDRCDK1CDK2CA2CDK4
SCHEMBL4592771 0.85 KDR (0.79) KDRCDK1CDK2CA2CDK4
SCHEMBL4592768 0.85 KDR (0.79) KDRCDK1CDK2CA2CDK4
SCHEMBL14367768 0.85 CDK1 (0.69) KDRCDK1CDK2CA2CDK4
SCHEMBL14367815 0.85 CDK1 (0.69) KDRCDK1CDK2CA2CDK4

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-7288547-B2 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2007-10-30 US disclosed
US-7288547-B2 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2007-10-30 US disclosed
US-7288547-B2 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2007-10-30 US disclosed
EP-1483260-A1 CDK INHIBITING 2-HETEROARYL PYRIMIDINE, THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Schering Aktiengesellschaft (DE) 2004-12-08 EP disclosed
US-20040063737-A1 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2004-04-01 US disclosed
WO-2003076437-A1 CDK INHIBITING 2-HETEROARYL PYRIMIDINE, THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SCHERING AKTIENGESELLSCHAFT (DE) 2003-09-18 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-20040063737-A1 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents CDK2, CDK6, CDKL2 KDR 764/4885CDK1 7/4885CDK2 1/4885

“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.