SCHEMBL1048699

SCHEMBL1048699

Cc1cccc(C)c1-c1c[nH]c(=O)c2c(Nc3ccc(N4CCOCC4)cc3)nccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.54
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
ROCK1 Q13464 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
JAK2 O60674 1/20 0.43
STK4 Q13043 1/20 0.43
STK3 Q13188 1/20 0.43
ITK Q08881 1/20 0.42
MAPK10 P53779 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
PTK2B Q14289 1/20 0.42
LRRK2 Q5S007 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 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
SCHEMBL1047448 0.89 ZAP70 (0.54) ZAP70TTBK1TTBK2ROCK1MAPT
SCHEMBL1048404 0.87 ZAP70 (0.51) ZAP70TTBK1TTBK2ROCK1LRRK2
SCHEMBL1049307 0.87 ZAP70 (0.56) ZAP70TTBK1TTBK2ROCK1ALDH1A1
SCHEMBL12929094 0.86 ZAP70 (0.52) ZAP70TTBK1TTBK2ROCK1ALDH1A1
SCHEMBL1049469 0.84 ZAP70 (0.59) ZAP70TTBK1TTBK2ROCK1MAPT
SCHEMBL1047358 0.83 ZAP70 (0.49) ZAP70MAPTITKMAPK1SMN1; SMN2
SCHEMBL1049198 0.83 ZAP70 (0.49) ZAP70TTBK1TTBK2ROCK1MAPT
SCHEMBL1047996 0.83 ITK (0.54) ZAP70ROCK1ALDH1A1MAPTHTT
SCHEMBL1047617 0.83 ZAP70 (0.54) ZAP70TTBK1TTBK2ROCK1ALDH1A1
SCHEMBL1046783 0.83 KDR (0.54) ZAP70ROCK1ALDH1A1MAPTHTT

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 ZAP70 4/4885TTBK1 488/4885TTBK2 479/4885

“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.