SCHEMBL1046587

SCHEMBL1046587

O=c1[nH]ccc2c(-c3cnn(CCN4CCOCC4)c3)cnc(Nc3ccccc3)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.66
JAK2 O60674 3/20 0.49
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
MAP4K4 O95819 1/20 0.43
MAPK1 P28482 1/20 0.43
SYK P43405 3/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
FGFR1 P11362 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
JAK1 P23458 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL1045623 0.92 ZAP70 (0.80) ZAP70JAK2MAP4K4MAPK1PIM1
SCHEMBL1047380 0.85 ZAP70 (0.75) ZAP70JAK2MAPK1SYKJAK1
SCHEMBL1048390 0.84 ZAP70 (0.54) ZAP70MAPK1JAK1BRD4
SCHEMBL1047378 0.83 ZAP70 (0.56) ZAP70JAK2IKBKETBK1JAK1
SCHEMBL13752869 0.83 ZAP70 (0.72) ZAP70JAK2SYKJAK3JAK1
SCHEMBL1045612 0.82 ZAP70 (0.73) ZAP70JAK2JAK1BRD4
SCHEMBL1045544 0.80 ZAP70 (1.00) ZAP70LRRK2
SCHEMBL1047715 0.79 ZAP70 (0.63) ZAP70JAK2PIK3CDPIK3CAPIK3CB
SCHEMBL1049635 0.77 ZAP70 (0.53) ZAP70JAK2MAP4K4PIM1JAK3
SCHEMBL27826755 0.77 MAP4K4 (0.44) ZAP70JAK2PIK3CDPIK3CAPIK3CB

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 6 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-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 4/4885JAK2 63/4885PIK3CD 107/4885

“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.