SCHEMBL4264451

SCHEMBL4264451

NCCCn1nc2c(c1C(=O)OC(=O)C(F)(F)F)CCc1cnc(-c3ccc(F)c(F)c3)cc1-2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.35
PDPK1 O15530 1/20 0.34
CDK2 P24941 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
GRIN2B Q13224 1/20 0.30

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
SCHEMBL4260282 0.91 PLK1 (0.35) PLK1PDPK1CDK2MAPKAPK2
SCHEMBL1658126 0.91 PLK1 (0.34) PLK1PDPK1CDK2MAPKAPK2
SCHEMBL4444669 0.90 CDK2 (0.38) PLK1PDPK1CDK2MAPKAPK2
SCHEMBL1655237 0.90 PLK1 (0.36) PLK1PDPK1CDK2MAPKAPK2
SCHEMBL6793952 0.89 MAPKAPK2 (0.40) PLK1PDPK1CDK2MAPKAPK2
SCHEMBL6793064 0.88 GABRP (0.36) PLK1PDPK1CDK2MAPKAPK2
SCHEMBL6794533 0.88 CDK2 (0.37) PLK1PDPK1CDK2GRIN2B
Trifluoroacetic Acid SCHEMBL4264447 0.88 CDK2 (0.37) PLK1PDPK1CDK2MAPKAPK2GRIN2B
SCHEMBL4266552 0.87 CDK2 (0.37) PLK1PDPK1CDK2
SCHEMBL4267658 0.87 CDK2 (0.37) PLK1PDPK1CDK2MAPKAPK2

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-9023787-B2 MAPKAP kinase-2 as a specific target for blocking proliferation of P53-defective MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-05 US disclosed
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-02-06 US disclosed
US-8440610-B2 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-14 US disclosed
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-08 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 (3 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-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 PLK1 83/4885PDPK1 112/4885CDK2 77/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 PLK1 101/4885PDPK1 87/4885CDK2 29/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 PLK1 83/4885PDPK1 112/4885CDK2 77/4885

“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.