SCHEMBL1047287

SCHEMBL1047287

COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc4[nH]ncc4c3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.48
RET P07949 1/20 0.44
SYK P43405 2/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
TNIK Q9UKE5 1/20 0.41
ROCK2 O75116 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ROCK1 Q13464 1/20 0.40
PRKG1 Q13976 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
KDR P35968 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
SCHEMBL1049129 0.93 ZAP70 (0.48) ZAP70RETSYKROCK2GSK3B
SCHEMBL1048646 0.83 ZAP70 (0.46) ZAP70RETSYK
SCHEMBL1047845 0.83 ZAP70 (0.48) ZAP70SYKMKNK1ROCK1
SCHEMBL1048426 0.81 ZAP70 (0.54) ZAP70MKNK1TNIKROCK2ROCK1
SCHEMBL1050218 0.80 ZAP70 (0.53) ZAP70ROCK2ROCK1CLK4
SCHEMBL1048475 0.79 ZAP70 (0.55) ZAP70
SCHEMBL1159788 0.79 ZAP70 (0.60) ZAP70SYK
SCHEMBL1045728 0.79 ZAP70 (0.46) ZAP70RETSYK
SCHEMBL1050283 0.78 ZAP70 (0.52) ZAP70
SCHEMBL1045442 0.78 ZAP70 (0.46) ZAP70RETSYKROCK2GSK3B

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 9 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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO 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-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
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 4/4885RET 3/4885SYK 2/4885

“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.