SCHEMBL1656609

SCHEMBL1656609

O=C(OC(=O)C(F)(F)F)c1c2c(nn1CCCNCCc1ccccc1)-c1ccncc1CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.35
AURKA O14965 2/20 0.35
CCNA2 P20248 2/20 0.35
CCNA1 P78396 2/20 0.35
ROCK2 O75116 5/20 0.34
NAMPT P43490 4/20 0.34
PDPK1 O15530 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL4263121 0.97 ROCK2 (0.37) CDK2AURKACCNA2CCNA1ROCK2
SCHEMBL1655452 0.96 NAMPT (0.39) CDK2AURKACCNA2CCNA1ROCK2
SCHEMBL4259042 0.95 HTR5A (0.33) CDK2AURKACCNA2CCNA1ROCK2
SCHEMBL4270594 0.95 AURKA (0.31) CDK2AURKACCNA2CCNA1
SCHEMBL1655240 0.95 NAMPT (0.34) CDK2AURKACCNA2CCNA1NAMPT
SCHEMBL6787892 0.94 HTR1A (0.35) CDK2AURKACCNA2CCNA1ROCK2
SCHEMBL4262259 0.93 ROCK2 (0.36) ROCK2
SCHEMBL4271422 0.93 ROCK2 (0.31) CDK2AURKACCNA2CCNA1ROCK2
SCHEMBL4263963 0.93 CDK2 (0.36) CDK2AURKACCNA2CCNA1ROCK2
SCHEMBL6786992 0.93 ROCK2 (0.34) CDK2AURKACCNA2CCNA1ROCK2

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 29/4885AURKA 1218/4885CCNA2 11/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 CDK2 77/4885AURKA 562/4885CCNA2 270/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CDK2 29/4885AURKA 341/4885CCNA2 270/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 CDK2 77/4885AURKA 562/4885CCNA2 270/4885

“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.