SCHEMBL6104241

SCHEMBL6104241

Nc1cccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.43
MAPK10 P53779 2/20 0.43
KDR P35968 3/20 0.41
GSK3B P49841 3/20 0.40
CDK2 P24941 3/20 0.40
CCNE1 P24864 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
EIF2AK2 P19525 2/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
CCNB2 O95067 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
RET P07949 1/20 0.38
PRKACA P17612 2/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL6105760 0.90 MAPK10 (0.49) CDK4MAPK10KDRGSK3BCDK2
SCHEMBL6105435 0.90 MAPK10 (0.52) CDK4MAPK10KDRGSK3BCDK2
SCHEMBL6104157 0.89 CDK4 (0.43) CDK4MAPK10KDRGSK3BCDK2
SCHEMBL6106982 0.89 TP53 (0.46) CDK4MAPK10KDRGSK3BCDK2
SCHEMBL6105643 0.89 CDK4 (0.43) CDK4MAPK10KDRGSK3BCDK2
SCHEMBL6106593 0.89 TP53 (0.46) CDK4MAPK10KDRGSK3BCDK2
SCHEMBL6106438 0.89 ADORA1 (0.48) CDK4MAPK10KDRGSK3BCDK2
SCHEMBL6107098 0.89 CDK4 (0.50) CDK4MAPK10KDRGSK3BCDK2
SCHEMBL6105078 0.88 MAPK10 (0.44) CDK4MAPK10KDRGSK3BCDK2
SCHEMBL5209101 0.88 CDK4 (0.49) CDK4MAPK10KDRGSK3BCDK2

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-7153855-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 US claimed
US-20050049260-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-03 US claimed
US-7153855-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 US disclosed
US-20050049260-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-03 US 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-20050049260-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 CDK4 2304/4885MAPK10 2227/4885KDR 4025/4885

“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.