SCHEMBL4446457

SCHEMBL4446457

CSc1cc2c(cn1)CCc1c-2nn2c1C(=O)NCC2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.32
CDC7 O00311 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
DAPK3 O43293 1/20 0.30
DYRK3 O43781 1/20 0.30
MAP4K4 O95819 1/20 0.30
CDK1 P06493 1/20 0.30
PIM1 P11309 1/20 0.30
CDK2 P24941 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CLK2 P49760 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
IRAK1 P51617 1/20 0.30
MAPK12 P53778 1/20 0.30
CSNK2A1 P68400 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PIM3 Q86V86 1/20 0.30
BRSK1 Q8TDC3 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
SCHEMBL4263111 0.94 SIGMAR1 (0.32) MAPKAPK2SIGMAR1
SCHEMBL4258857 0.84 PARP10 (0.33) MAPKAPK2CDC7TMEM97SIGMAR1MAP4K4
SCHEMBL4267668 0.83 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL6800090 0.81 IP6K1 (0.36) MAPKAPK2CDC7TMEM97SIGMAR1
SCHEMBL6794024 0.80 MAPKAPK2 (0.41) MAPKAPK2CDC7CDK1
SCHEMBL4265876 0.79 MAPKAPK2 (0.41) MAPKAPK2CDC7CDK2
SCHEMBL4264409 0.79 MAPKAPK2 (0.56) MAPKAPK2
SCHEMBL460089 0.78 CDC7 (0.39) CDC7TMEM97SIGMAR1
SCHEMBL6792527 0.78 SIGMAR1 (0.33) MAPKAPK2CDC7SIGMAR1MAP4K4CDK2
SCHEMBL4260268 0.77 HTR2B (0.43) MAPKAPK2TMEM97SIGMAR1PIM1CDK2

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 7 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-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 (3 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 1486/4885CDC7 148/4885TMEM97 3313/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 MAPKAPK2 1/4885CDC7 78/4885TMEM97 2419/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MAPKAPK2 2/4885CDC7 245/4885TMEM97 1682/4885

“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.