SCHEMBL1047378

SCHEMBL1047378

O=c1[nH]ccc2c(-c3cnn(CC4OCCO4)c3)cnc(Nc3ccccc3)c12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.56
JAK1 P23458 8/20 0.39
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
JAK2 O60674 8/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
BRD4 O60885 2/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
ALK Q9UM73 1/20 0.33

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
SCHEMBL1048390 0.84 ZAP70 (0.54) ZAP70JAK1PRKACAPRKACGPRKACB
SCHEMBL1046587 0.83 ZAP70 (0.66) ZAP70JAK1IKBKETBK1JAK2
SCHEMBL1045612 0.81 ZAP70 (0.73) ZAP70JAK1AURKAAURKBJAK2
SCHEMBL1047380 0.79 ZAP70 (0.75) ZAP70JAK1JAK2
SCHEMBL1049635 0.77 ZAP70 (0.53) ZAP70JAK1PRKACAAURKAAURKB
SCHEMBL1046603 0.77 ZAP70 (0.53) ZAP70AXLTYRO3MERTKALK
SCHEMBL1045623 0.75 ZAP70 (0.80) ZAP70JAK1JAK2
SCHEMBL1047826 0.75 ZAP70 (0.64) ZAP70AURKAAURKBBRD4
SCHEMBL27806020 0.75 IKBKE (0.37) ZAP70IKBKETBK1AXLTYRO3
SCHEMBL1047715 0.74 ZAP70 (0.63) ZAP70JAK2BRD4

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 7 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
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
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 4/4885JAK1 90/4885IKBKE 180/4885

“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.