SCHEMBL1049304

SCHEMBL1049304

O=c1[nH]ccc2ccnc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.66
TTBK1 Q5TCY1 1/20 0.54
TTBK2 Q6IQ55 1/20 0.54
JAK2 O60674 5/20 0.51
MAPKAPK5 Q8IW41 1/20 0.48
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
YES1 P07947 1/20 0.47
KDR P35968 1/20 0.47
SYK P43405 2/20 0.46
PLK4 O00444 1/20 0.46

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
SCHEMBL1048878 0.84 ZAP70 (0.51) ZAP70JAK2SYK
SCHEMBL1046727 0.84 ZAP70 (0.56) ZAP70KDRSYK
SCHEMBL1049032 0.82 ZAP70 (0.72) ZAP70TTBK1TTBK2JAK2MAPKAPK5
SCHEMBL1048518 0.82 ZAP70 (0.52) ZAP70JAK2SYK
SCHEMBL1053796 0.82 ZAP70 (0.57) ZAP70TTBK1TTBK2JAK2MAPKAPK5
SCHEMBL1047212 0.81 ZAP70 (0.72) ZAP70TTBK1TTBK2JAK2
SCHEMBL1157984 0.81 ZAP70 (0.69) ZAP70TTBK1TTBK2JAK2MAPKAPK5
SCHEMBL1049462 0.81 ZAP70 (0.78) ZAP70TTBK1TTBK2JAK2MAPKAPK5
SCHEMBL1158001 0.81 ZAP70 (0.64) ZAP70TTBK1TTBK2JAK2MAPKAPK5
SCHEMBL1047997 0.80 ZAP70 (0.73) ZAP70TTBK1TTBK2JAK2MAPKAPK5

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
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 4/4885TTBK1 488/4885TTBK2 479/4885

“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.