SCHEMBL1047996

SCHEMBL1047996

CN(C)c1cccc(-c2c[nH]c(=O)c3c(Nc4ccc(N5CCOCC5)cc4)nccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITK Q08881 4/20 0.54
FYN P06241 1/20 0.53
ZAP70 P43403 7/20 0.51
ATR Q13535 1/20 0.44
ATRIP Q8WXE1 1/20 0.44
ROCK1 Q13464 1/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK2 O60674 1/20 0.43
PIK3R2 O00459 1/20 0.43
ALDH1A1 P00352 1/20 0.42
BTK Q06187 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
YES1 P07947 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL1049307 0.87 ZAP70 (0.56) ITKZAP70ROCK1MAPTHTT
SCHEMBL1049855 0.85 ZAP70 (0.49) ZAP70ATRATRIPROCK1MAPT
SCHEMBL1048699 0.83 ZAP70 (0.54) ITKZAP70ROCK1MAPTHTT
SCHEMBL1048166 0.82 ZAP70 (0.62) ITKFYNZAP70ATRATRIP
SCHEMBL1047617 0.82 ZAP70 (0.54) ZAP70ROCK1MAPTHTTSMN1; SMN2
SCHEMBL1047448 0.82 ZAP70 (0.54) ZAP70ROCK1MAPTSMN1; SMN2
SCHEMBL1049683 0.81 ZAP70 (0.76) ZAP70ROCK1ABL1NTRK1YES1
SCHEMBL1046783 0.81 KDR (0.54) ITKZAP70ROCK1MAPTHTT
SCHEMBL1049116 0.80 CLK1 (0.58) ITKFYNZAP70ATRATRIP
SCHEMBL1048404 0.80 ZAP70 (0.51) ZAP70ROCK1

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-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US claimed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET ITK 260/4885FYN 1/4885ZAP70 4/4885

“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.