SCHEMBL5644362

SCHEMBL5644362

C=CCCOc1nc(N)cnc1C#N

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.33
USP8 P40818 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
PIK3CD O00329 1/20 0.32
CHEK1 O14757 1/20 0.31
CHEK2 O96017 1/20 0.31

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
SCHEMBL5642222 0.86 CDK1 (0.38) TP53USP8CDK1CCNB1CCNA2
SCHEMBL12984697 0.79 CDK1 (0.43) KDM4EUSP8CDK1CCNB1CCNA2
SCHEMBL31511545 0.75 PIK3CD (0.34) TP53KDM4ECCNA2CDK2CCNA1
SCHEMBL1397037 0.74 CHEK1 (0.45) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL620504 0.74 USP8 (0.42) KDM4EUSP8PIK3CD
SCHEMBL5643611 0.69 CDK2 (0.35) KDM4ECDK1CCNB1CCNA2CDK2
SCHEMBL11032347 0.68 PIK3CD (0.43) KDM4EUSP8PIK3CD
SCHEMBL1396879 0.68 KDM4E (0.51) KDM4E
SCHEMBL15142766 0.68 PIK3CD (0.40) KDM4EUSP8PIK3CD
SCHEMBL20073218 0.67 ALOX5AP (0.34) TP53PIK3CD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163939-B2 Macrocyclic kinase inhibitors ABBOTT LABORATORIES (US) 2007-01-16 US disclosed
EP-1682555-A1 MACROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-07-26 EP disclosed
US-20050215556-A1 Macrocyclic kinase inhibitors ABBVIE INC. 2005-09-29 US disclosed
WO-2005047294-A1 MACROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-05-26 WO disclosed
US-20050096324-A1 Macrocyclic kinase inhibitors ABBOTT LABORATORIES 2005-05-05 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 (2 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-20050096324-A1 Macrocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K7 TP53 686/4885KDM4E 1650/4885USP8 2745/4885
US-20050215556-A1 Macrocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K7 TP53 686/4885KDM4E 1650/4885USP8 2745/4885

“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.