SCHEMBL5641950

SCHEMBL5641950

Nc1cnc(C=NO)c(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.36
RET P07949 1/20 0.34
PLAU P00749 2/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL5641945 1.00 CDK2 (0.36) CDK2RETPLAUKDM4EL3MBTL1
SCHEMBL376750 0.81 ALDH1A1 (0.31) CDK2KDM4EL3MBTL1
SCHEMBL376749 0.81 ALDH1A1 (0.31) CDK2KDM4EL3MBTL1
SCHEMBL5642472 0.75 PLAU (0.34) PLAU
SCHEMBL5642479 0.75 PLAU (0.34) PLAU
SCHEMBL3918346 0.70 PKM (0.35) KDM4EL3MBTL1
SCHEMBL3918342 0.70 PKM (0.35) KDM4EL3MBTL1
SCHEMBL10990986 0.68 RET (0.31) RET
SCHEMBL10990984 0.68 RET (0.31) RET
SCHEMBL8257576 0.68

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 CDK2 22/4885RET 438/4885PLAU 1868/4885
US-20050215556-A1 Macrocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K7 CDK2 22/4885RET 438/4885PLAU 1868/4885

“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.