SCHEMBL1660747

SCHEMBL1660747

CCCn1nc2c(c1C(=O)O)CCc1cnc(-c3cnc4ccccc4c3)cc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.43
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CCNA2 P20248 5/20 0.36
CDK2 P24941 5/20 0.36
CCNA1 P78396 4/20 0.36
AURKA O14965 2/20 0.36
PLK1 P53350 2/20 0.36
CDK4 P11802 2/20 0.35
CCND3 P30281 2/20 0.35
CDK6 Q00534 2/20 0.35
MTOR P42345 3/20 0.35
HDAC1 Q13547 2/20 0.35
PIK3CA P42336 1/20 0.34
MGAM O43451 1/20 0.34
MAP4K4 O95819 2/20 0.34
CSNK1G2 P78368 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL6794525 0.92 MAPKAPK2 (0.41) MAPKAPK2PARP10PARP11CCNA2CDK2
SCHEMBL6793266 0.87 MAPKAPK2 (0.41) MAPKAPK2PARP10PARP11CCNA2CDK2
SCHEMBL1660771 0.85 MAPKAPK2 (0.41) MAPKAPK2CCNA2CDK2CCNA1AURKA
Trifluoroacetic Acid SCHEMBL4267121 0.85 MAPKAPK2 (0.44) MAPKAPK2CCNA2CDK2CCNA1AURKA
Hydrochloric Acid SCHEMBL4269768 0.84 MAPKAPK2 (0.39) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL4272021 0.84 MAPKAPK2 (0.38) MAPKAPK2CCNA2CDK2CCNA1AURKA
Hydrochloric Acid SCHEMBL4263089 0.82 CDK2 (0.44) MAPKAPK2PARP10PARP11CCNA2CDK2
SCHEMBL4258256 0.81 HTR7 (0.38) MAPKAPK2MTORHDAC1
SCHEMBL6795012 0.81 KDM4E (0.40) MAPTTSHRKDM4E
Hydrochloric Acid SCHEMBL1655155 0.80 HDAC1 (0.42) MAPKAPK2PARP10PARP11CCNA2CDK2

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 11 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
WO-2011041784-A1 METHODS FOR DIAGNOSING AND TREATING CANCER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-04-07 WO 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 MAPKAPK2 1486/4885PARP10 1234/4885PARP11 632/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 MAPKAPK2 1/4885PARP10 1610/4885PARP11 1311/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MAPKAPK2 2/4885PARP10 1528/4885PARP11 1392/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 MAPKAPK2 1/4885PARP10 1610/4885PARP11 1311/4885

“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.