SCHEMBL5153572

SCHEMBL5153572

CCC(Sc1nc(Nc2ccc(S(N)(=O)=O)nc2)ncc1Br)C(C)O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 20/20 0.71
CDK2 P24941 19/20 0.71
KDR P35968 15/20 0.71
CCNB1 P14635 3/20 0.46
CCNE1 P24864 3/20 0.46
CA2 P00918 2/20 0.46
CDK4 P11802 2/20 0.46
CDK7 P50613 2/20 0.46
CDK9 P50750 2/20 0.46
CCNT1 O60563 1/20 0.46
CCND1 P24385 1/20 0.46
CCNH P51946 1/20 0.46

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
SCHEMBL14367840 1.00 CDK1 (0.71) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14367844 0.88 CDK1 (0.69) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14367843 0.85 CDK1 (0.71) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14367842 0.85 CDK1 (0.70) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL5151974 0.84 CDK1 (0.52) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14367841 0.84 CDK1 (0.52) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL13442831 0.83 CDK1 (1.00) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14367846 0.83 CDK1 (0.71) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14367845 0.83 CDK1 (0.52) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL5156815 0.83 CDK1 (0.71) CDK1CDK2KDRCCNB1CCNE1

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 4 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
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 CDK1 7/4885CDK2 1/4885KDR 764/4885

“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.