SCHEMBL5259656

SCHEMBL5259656

CNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 0.76
CDK2 P24941 10/20 0.76
KDR P35968 6/20 0.76
IGF1R P08069 4/20 0.68
GSK3B P49841 1/20 0.62
CDK19 Q9BWU1 1/20 0.57
ALK Q9UM73 1/20 0.57
MAPK8 P45983 1/20 0.54
CCNB1 P14635 1/20 0.53
CCNE1 P24864 1/20 0.53
CA2 P00918 2/20 0.53
ULK1 O75385 1/20 0.53
CHEK1 O14757 1/20 0.51
NTRK2 Q16620 1/20 0.51
CCNT1 O60563 1/20 0.51
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
CCNH P51946 1/20 0.51

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
SCHEMBL3938954 0.86 CDK1 (1.00) CDK1CDK2KDRIGF1RGSK3B
SCHEMBL5258869 0.86 CDK1 (0.77) CDK1CDK2KDRIGF1RGSK3B
SCHEMBL4459525 0.83 IGF1R (1.00) CDK1CDK2KDRIGF1RGSK3B
SCHEMBL5257636 0.80 CA2 (0.71) CDK1CDK2KDRIGF1RGSK3B
SCHEMBL14336430 0.80 TNNI3K (0.59) CDK1CDK2KDRIGF1RGSK3B
SCHEMBL4577979 0.80 CDK2 (0.71) CDK1CDK2KDRIGF1RGSK3B
SCHEMBL24477881 0.79 CDK1 (0.58) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL4062771 0.79 CA2 (0.54) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL5261726 0.79 IGF1R (0.85) CDK1CDK2KDRIGF1RGSK3B
SCHEMBL4062176 0.78 CDK1 (0.63) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272477-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-05-09 EP claimed
US-7153964-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2006-12-26 US claimed
JP-2003525277-A 2003-08-26 JP claimed
US-20030149064-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2003-08-07 US claimed
EP-1272477-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2003-01-08 EP claimed
WO-2001064654-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2001-09-07 WO claimed

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-20030149064-A1 Pyrimidine compounds CDK2, CCNI, CCNY CDK1 6/4885CDK2 1/4885KDR 2691/4885

“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.