SCHEMBL1659385

SCHEMBL1659385

O=C(O)c1c2c(nn1CCCO)-c1ccncc1CC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.34
PDPK1 O15530 1/20 0.34
BRAF P15056 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
NAMPT P43490 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
ROCK2 O75116 2/20 0.31
GRK2 P25098 1/20 0.31
AURKA O14965 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CCNA2 P20248 2/20 0.30
CCNA1 P78396 2/20 0.30
PLK1 P53350 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL6793189 0.93 CDK2 (0.35) CDK2PDPK1BRAFMAPK3MAPK1
Hydrochloric Acid SCHEMBL1658167 0.89 CDK2 (0.42) CDK2PDPK1BRAFMAPK3MAPK1
Hydrochloric Acid SCHEMBL1658063 0.88 CDK2 (0.40) CDK2PDPK1BRAFMAPK3MAPK1
SCHEMBL6793304 0.87 KDM4C (0.37) CDK2AAK1AURKACCNA2CCNA1
SCHEMBL1655455 0.87 CDK2 (0.36) CDK2PDPK1BRAFMAPK3MAPK1
SCHEMBL6799797 0.87 AAK1 (0.35) CDK2PDPK1AAK1
SCHEMBL6787046 0.87 CDK2 (0.38) CDK2PDPK1NAMPTAURKACCNA2
Hydrochloric Acid SCHEMBL4257712 0.86 CDK2 (0.36) CDK2PDPK1BRAFMAPK3MAPK1
SCHEMBL6793396 0.86 NAMPT (0.36) CDK2NAMPTAURKACCNA2CCNA1
SCHEMBL6793766 0.86 CCNA2 (0.39) CDK2NAMPTAURKACCNA2CCNA1

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 CDK2 29/4885PDPK1 876/4885BRAF 302/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 CDK2 77/4885PDPK1 112/4885BRAF 141/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CDK2 29/4885PDPK1 87/4885BRAF 316/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 CDK2 77/4885PDPK1 112/4885BRAF 141/4885

“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.