SCHEMBL4267658

SCHEMBL4267658

COc1cccc(-c2cc3c(cn2)CCc2c-3nn(CCCN)c2C(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.37
CCNA2 P20248 3/20 0.37
CCNA1 P78396 3/20 0.37
AURKA O14965 2/20 0.37
PLK1 P53350 2/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KCNK3 O14649 2/20 0.35
HPGDS O60760 1/20 0.35
DYRK1A Q13627 1/20 0.35
PDPK1 O15530 1/20 0.34
PTGIR P43119 3/20 0.34
PTGDR Q13258 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCRTR1 O43613 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
SCHEMBL6793952 0.92 MAPKAPK2 (0.40) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL6794533 0.89 CDK2 (0.37) CDK2CCNA2CCNA1PLK1KCNK3
Trifluoroacetic Acid SCHEMBL4267655 0.89 CDK2 (0.38) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL6794716 0.88 PLK1 (0.34) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL4444669 0.88 CDK2 (0.38) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL6793246 0.87 KCNK3 (0.36) CDK2PLK1KCNK3PDPK1
SCHEMBL4264451 0.87 PLK1 (0.35) CDK2PLK1PDPK1MAPKAPK2
SCHEMBL4266552 0.87 CDK2 (0.37) CDK2CCNA2CCNA1PLK1MAPT
SCHEMBL4270478 0.86 CDK2 (0.36) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL1655237 0.86 PLK1 (0.36) CDK2CCNA2CCNA1AURKAPLK1

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 9 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-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 29/4885CCNA2 11/4885CCNA1 9/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 CDK2 77/4885CCNA2 270/4885CCNA1 327/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CDK2 29/4885CCNA2 270/4885CCNA1 527/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 CDK2 77/4885CCNA2 270/4885CCNA1 327/4885

“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.