SCHEMBL1083635

SCHEMBL1083635

COCCn1cc(-c2ccc(Nc3nc(-c4cnc(N)nc4)cc4cc[nH]c(=O)c34)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.51
JAK1 P23458 2/20 0.51
ZAP70 P43403 12/20 0.48
ALOX5AP P20292 2/20 0.43
SYK P43405 1/20 0.42
IKBKE Q14164 3/20 0.41
TBK1 Q9UHD2 3/20 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
SCHEMBL1044916 0.92 JAK2 (0.51) JAK2JAK1ZAP70SYKIKBKE
SCHEMBL12929920 0.91 ZAP70 (0.49) JAK2JAK1ZAP70SYK
SCHEMBL1045696 0.90 ZAP70 (0.59) JAK2JAK1ZAP70SYK
SCHEMBL1081520 0.86 ZAP70 (0.58) ZAP70
SCHEMBL1050178 0.86 ZAP70 (0.64) JAK2JAK1ZAP70ALOX5APSYK
SCHEMBL12929916 0.83 ZAP70 (0.51) JAK2JAK1ZAP70SYK
SCHEMBL1048039 0.82 ZAP70 (0.54) ZAP70
SCHEMBL12929915 0.81 ZAP70 (0.61) JAK2JAK1ZAP70SYK
SCHEMBL1050283 0.80 ZAP70 (0.52) JAK2JAK1ZAP70
SCHEMBL1048500 0.79 ZAP70 (0.49) JAK2JAK1ZAP70ALOX5APSYK

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 JAK2 63/4885JAK1 90/4885ZAP70 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.