SCHEMBL2739405

SCHEMBL2739405

N=c1cc2c(n[nH]1)-c1ccccc1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.44
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
METAP2 P50579 1/20 0.39
CES1 P23141 1/20 0.38
DYRK1A Q13627 1/20 0.38
KDR P35968 2/20 0.37
ADORA1 P30542 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL4983802 0.79 GSR (0.51) GSRMAPK8MAPK9MAPK10NPC1
SCHEMBL10389468 0.79 GSR (0.44) GSRMAPK8MAPK9MAPK10NPC1
SCHEMBL467920 0.73 CYP2A6 (0.49) GSRMAPK8MAPK9MAPK10NPC1
SCHEMBL13740452 0.71 CES1 (0.43) GSRMAPK8MAPK9MAPK10NPC1
SCHEMBL11666414 0.70 NFKB1 (0.38) MAPK8MAPK9NPC1RAB9AALDH1A1
SCHEMBL14349692 0.69 GSR (0.55) GSRMAPK8MAPK9MAPK10NPC1
SCHEMBL2769394 0.69 MAPK10 (0.76) GSRMAPK8MAPK9MAPK10NPC1
SCHEMBL23044043 0.68 KDM4E (0.41) GSRMAPK8MAPK9MAPK10NPC1
SCHEMBL11861088 0.67 KDR (0.56) GSRMAPK10NPC1RAB9AALDH1A1
SCHEMBL11663320 0.66 CES1 (0.47) NPC1RAB9AALDH1A1KDM4EPOLB

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-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 US disclosed
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 US disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 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 (1 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-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death CASP2, CASP1, DAPK2 GSR 1137/4885MAPK8 325/4885MAPK9 449/4885

“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.