SCHEMBL4263045

SCHEMBL4263045

NCCCn1nc2c(c1C(=O)OC(=O)C(F)(F)F)CCc1cnc(-c3ccccc3C(F)(F)F)cc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.37
PDPK1 O15530 1/20 0.37
PLK1 P53350 4/20 0.36
CCNA2 P20248 2/20 0.36
CCNA1 P78396 2/20 0.36
PLK3 Q9H4B4 1/20 0.36
PLK2 Q9NYY3 1/20 0.36
TOP2A P11388 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
KMO O15229 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.32
RORC P51449 1/20 0.32
HDAC1 Q13547 1/20 0.32
METAP2 P50579 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
AURKA O14965 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
SCHEMBL4270478 0.89 CDK2 (0.36) CDK2PDPK1PLK1CCNA2CCNA1
Trifluoroacetic Acid SCHEMBL4263044 0.88 CDK2 (0.40) CDK2PDPK1PLK1CCNA2CCNA1
SCHEMBL4260282 0.87 PLK1 (0.35) CDK2PDPK1PLK1CCNA2CCNA1
SCHEMBL4444669 0.86 CDK2 (0.38) CDK2PDPK1PLK1CCNA2CCNA1
SCHEMBL6794533 0.86 CDK2 (0.37) CDK2PDPK1PLK1CCNA2CCNA1
SCHEMBL1658126 0.85 PLK1 (0.34) CDK2PDPK1PLK1MAPKAPK2
SCHEMBL4264451 0.85 PLK1 (0.35) CDK2PDPK1PLK1MAPKAPK2GRIN2B
SCHEMBL4267125 0.85 MAPKAPK2 (0.39) CDK2PDPK1PLK1CCNA2CCNA1
SCHEMBL6794904 0.84 PLK1 (0.35) CDK2PDPK1PLK1
SCHEMBL1655237 0.84 PLK1 (0.36) CDK2PDPK1PLK1CCNA2CCNA1

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 10 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-20120252737-A1 Methods for Diagnosing and Treating Cancer MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-04 US disclosed
US-20090181468-A1 Methods and compositions for treating cellular proliferative diseases YAFFE MICHAEL B 2009-07-16 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
EP-1824498-A2 METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES THE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-08-29 EP disclosed
US-20060115453-A1 Methods and compositions for treating cellular proliferative diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-01 US disclosed
WO-2006053315-A2 METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-05-18 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 (4 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-20060115453-A1 Methods and compositions for treating cellular proliferative diseases MKI67, TP53, CCNC CDK2 29/4885PDPK1 876/4885PLK1 43/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 CDK2 77/4885PDPK1 112/4885PLK1 83/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CDK2 29/4885PDPK1 87/4885PLK1 101/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 CDK2 77/4885PDPK1 112/4885PLK1 83/4885

“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.