SCHEMBL2724974

SCHEMBL2724974

CC(C)Oc1ncc(Br)c(OC(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CDK1 P06493 4/20 0.33
CDK2 P24941 4/20 0.33
KDR P35968 3/20 0.33
CCNB1 P14635 3/20 0.33
CCNE1 P24864 2/20 0.33
TBK1 Q9UHD2 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNA1 P78396 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL17841539 0.81 GAA (0.37) GAATBK1
SCHEMBL29421585 0.81 GAA (0.37) GAATBK1
SCHEMBL31634163 0.79 GAA (0.36) GAACDK1CDK2KDRCCNB1
SCHEMBL22234790 0.79 CDK1 (0.45) GAACDK1CDK2KDRCCNB1
SCHEMBL29598152 0.79 CDK1 (0.45) GAACDK1CDK2KDRCCNB1
SCHEMBL29951713 0.74 HSP90AA1 (0.32) CDK1CDK2CCNB1LRRK2CCNA2
SCHEMBL6825991 0.73 CCNA2 (0.38) CDK1CDK2CCNB1LRRK2CCNA2
SCHEMBL736170 0.73 KDM4E (0.34) GAALRRK2
SCHEMBL22234711 0.73 GAA (0.45) GAACDK1CDK2KDRCCNB1
SCHEMBL6823092 0.72 GAA (0.31) GAACDK1CDK2KDRCCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB GAA 387/4885CDK1 493/4885CDK2 501/4885

“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.