SCHEMBL4450382

SCHEMBL4450382

O=C1NCCCn2nc3c(c21)CCc1cnc(Nc2ccccc2)cc1-3

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
CDK2 P24941 12/20 0.36
CCNA2 P20248 11/20 0.36
CCNA1 P78396 11/20 0.36
AURKA O14965 7/20 0.36
PLK1 P53350 7/20 0.36
BRD4 O60885 1/20 0.35
CDK4 P11802 3/20 0.35
CCND3 P30281 3/20 0.35
CDK6 Q00534 3/20 0.35
TTK P33981 2/20 0.35
PLK3 Q9H4B4 1/20 0.35
PLK2 Q9NYY3 1/20 0.35
PDPK1 O15530 1/20 0.34
MAPKAPK2 P49137 2/20 0.33
PIK3CA P42336 1/20 0.33
PRKDC P78527 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL4271434 0.94 PIM1 (0.38) PIM1PIM2CDK2CCNA2CCNA1
SCHEMBL4260865 0.85 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL4150539 0.82 CDK2 (0.51) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL6795067 0.80 MAPKAPK2 (0.39) PIM1PIM2CDK2AURKAPLK1
SCHEMBL6795071 0.80 MAPKAPK2 (0.39) PIM1PIM2CDK2AURKAPLK1
SCHEMBL6792527 0.80 SIGMAR1 (0.33) CDK2MAPKAPK2SIGMAR1
SCHEMBL4264457 0.79 MAPKAPK2 (0.41) PIM1PIM2MAPKAPK2
SCHEMBL4442281 0.79 PARP10 (0.46) PIM1PIM2MAPKAPK2PIK3CA
SCHEMBL4263111 0.78 SIGMAR1 (0.32) MAPKAPK2SIGMAR1
SCHEMBL4260901 0.78 MAPKAPK2 (0.39) MAPKAPK2SIGMAR1

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 6 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-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 PIM1 2688/4885PIM2 3267/4885CDK2 29/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 PIM1 838/4885PIM2 545/4885CDK2 77/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 PIM1 633/4885PIM2 370/4885CDK2 29/4885

“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.