SCHEMBL4260901

SCHEMBL4260901

O=C1NCCCn2nc3c(c21)CCc1cnc(-c2ccc(O)cc2)cc1-3

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 16/20 0.39
SIGMAR1 Q99720 1/20 0.33
RIPK2 O43353 1/20 0.32
LCK P06239 1/20 0.32
KDR P35968 1/20 0.32
TGFBR1 P36897 1/20 0.32
GSK3B P49841 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
SCHEMBL4260865 0.90 MAPKAPK2 (0.41) MAPKAPK2KDR
SCHEMBL4444521 0.87 MAPKAPK2 (0.55) MAPKAPK2TGFBR1
Trifluoroacetic Acid SCHEMBL4270922 0.87 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL4264457 0.85 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL6788319 0.85 MAPKAPK2 (0.40) MAPKAPK2LCK
SCHEMBL4257662 0.84 TMEM97 (0.40) MAPKAPK2SIGMAR1TGFBR1
SCHEMBL6794024 0.84 MAPKAPK2 (0.41) MAPKAPK2KDR
SCHEMBL1660776 0.83 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL6794644 0.83 MAOA (0.38) MAPKAPK2SIGMAR1
SCHEMBL4442281 0.83 PARP10 (0.46) MAPKAPK2GSK3B

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 8 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
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

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 1486/4885SIGMAR1 4642/4885RIPK2 3622/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 MAPKAPK2 1/4885SIGMAR1 4780/4885RIPK2 527/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MAPKAPK2 2/4885SIGMAR1 4084/4885RIPK2 329/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 MAPKAPK2 1/4885SIGMAR1 4780/4885RIPK2 527/4885

“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.