SCHEMBL1048404

SCHEMBL1048404

Cc1c(Cl)cccc1-c1c[nH]c(=O)c2c(Nc3ccc(N4CCOCC4)cc3)nccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 7/20 0.51
PDE2A O00408 1/20 0.44
ROCK1 Q13464 1/20 0.41
FGFR1 P11362 2/20 0.41
SRC P12931 2/20 0.41
PDGFRB P09619 1/20 0.41
SLC2A1 P11166 1/20 0.41
PDGFRA P16234 1/20 0.41
PKMYT1 Q99640 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
CNR2 P34972 1/20 0.41
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
WEE1 P30291 2/20 0.41
AXL P30530 1/20 0.40
CCNK O75909 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCND3 P30281 1/20 0.40

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
SCHEMBL1049469 0.91 ZAP70 (0.59) ZAP70PDE2AROCK1AURKAAURKB
SCHEMBL1047448 0.90 ZAP70 (0.54) ZAP70PDE2AROCK1FGFR1SRC
SCHEMBL1048699 0.87 ZAP70 (0.54) ZAP70ROCK1TTBK1TTBK2LRRK2
SCHEMBL1047617 0.83 ZAP70 (0.54) ZAP70ROCK1SRCTTBK1TTBK2
SCHEMBL1049307 0.83 ZAP70 (0.56) ZAP70ROCK1TTBK1TTBK2LRRK2
SCHEMBL12929094 0.82 ZAP70 (0.52) ZAP70ROCK1TTBK1TTBK2LRRK2
SCHEMBL1047996 0.80 ITK (0.54) ZAP70ROCK1
SCHEMBL1049198 0.80 ZAP70 (0.49) ZAP70ROCK1CNR2TTBK1TTBK2
SCHEMBL1047358 0.80 ZAP70 (0.49) ZAP70FGFR1SRCPKMYT1CNR2
SCHEMBL1049683 0.79 ZAP70 (0.76) ZAP70ROCK1TTBK1TTBK2LRRK2

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 10 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
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

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 4/4885PDE2A 2181/4885ROCK1 151/4885

“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.