SCHEMBL4255908

SCHEMBL4255908

CCOC(=O)c1ccc2[nH]c3c(c2c1)CCC/C3=N/O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.71
MAPT P10636 8/20 0.71
HSD17B10 Q99714 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
ALOX15 P16050 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
RAB9A P51151 2/20 0.65
NPC1 O15118 1/20 0.65
MAPK1 P28482 3/20 0.63
PLK4 O00444 1/20 0.63
DAPK3 O43293 1/20 0.63
DYRK3 O43781 1/20 0.63
JAK2 O60674 1/20 0.63
PRKD3 O94806 1/20 0.63
MAP4K4 O95819 1/20 0.63
PIM1 P11309 1/20 0.63
RPS6KB1 P23443 1/20 0.63
CDK2 P24941 1/20 0.63

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
SCHEMBL1658107 1.00 KDM4E (0.71) KDM4EMAPTHSD17B10SMN1; SMN2ALOX15
SCHEMBL5489990 0.92 KDM4E (0.64) KDM4EMAPTHSD17B10SMN1; SMN2ALOX15
SCHEMBL5239415 0.83 KDM4E (1.00) KDM4EMAPTHSD17B10SMN1; SMN2ALOX15
SCHEMBL5583148 0.82 KDM4E (0.98) KDM4EMAPTHSD17B10SMN1; SMN2ALOX15
SCHEMBL5583276 0.79 MAPT (0.66) KDM4EMAPTHSD17B10SMN1; SMN2ALOX15
SCHEMBL4780133 0.79 MEN1 (1.00) KDM4EMAPTHSD17B10SMN1; SMN2ALOX15
SCHEMBL6238525 0.78 PTGES (0.79) KDM4EMAPTHSD17B10L3MBTL1MEN1
SCHEMBL6359382 0.78 PTGES (0.79) KDM4EMAPTHSD17B10L3MBTL1MEN1
SCHEMBL2993573 0.77 MAPK1 (1.00) KDM4EMAPTHSD17B10SMN1; SMN2ALOX15
SCHEMBL14366543 0.77 KDM4E (0.66) KDM4EMAPTHSD17B10SMN1; SMN2ALOX15

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 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
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 US disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 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 (5 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 KDM4E 3928/4885MAPT 1772/4885HSD17B10 1043/4885
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 KDM4E 1947/4885MAPT 1892/4885HSD17B10 2437/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 KDM4E 4005/4885MAPT 1844/4885HSD17B10 2451/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 KDM4E 2254/4885MAPT 2076/4885HSD17B10 3399/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 KDM4E 4005/4885MAPT 1844/4885HSD17B10 2451/4885

“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.