SCHEMBL4258256

SCHEMBL4258256

O=C(O)c1c2c(nn1CCCNS(=O)(=O)Cc1ccc(Cl)cc1)-c1cc(-c3cnc4ccccc4c3)ncc1CC2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.38
HTR6 P50406 7/20 0.38
MAPKAPK2 P49137 1/20 0.36
MTOR P42345 2/20 0.34
HDAC1 Q13547 2/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
PTGER4 P35408 1/20 0.32
FAAH O00519 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
SCHEMBL4272021 0.95 MAPKAPK2 (0.38) HTR7HTR6MAPKAPK2MTORHDAC1
Hydrochloric Acid SCHEMBL4269768 0.82 MAPKAPK2 (0.39) MAPKAPK2MTORHDAC1
SCHEMBL1660747 0.81 MAPKAPK2 (0.43) MAPKAPK2MTORHDAC1
Trifluoroacetic Acid SCHEMBL4267121 0.79 MAPKAPK2 (0.44) MAPKAPK2MTORHDAC1
SCHEMBL6795012 0.77 KDM4E (0.40) FAAH
SCHEMBL6793266 0.77 MAPKAPK2 (0.41) MAPKAPK2MTORHDAC1
Hydrochloric Acid SCHEMBL4263089 0.76 CDK2 (0.44) MAPKAPK2MTORHDAC1
Hydrochloric Acid SCHEMBL1655155 0.75 HDAC1 (0.42) MAPKAPK2MTORHDAC1
SCHEMBL6788934 0.74 MAPKAPK2 (0.40) MAPKAPK2MTORHDAC1
SCHEMBL6794525 0.74 MAPKAPK2 (0.41) MAPKAPK2MTORHDAC1

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 HTR7 3832/4885HTR6 3539/4885MAPKAPK2 1486/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 HTR7 4554/4885HTR6 4466/4885MAPKAPK2 1/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 HTR7 1805/4885HTR6 2833/4885MAPKAPK2 2/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 HTR7 4554/4885HTR6 4466/4885MAPKAPK2 1/4885

“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.