SCHEMBL1047693

SCHEMBL1047693

Nc1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3c(=O)[nH]ccc23)cn1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.72
TTBK1 Q5TCY1 2/20 0.52
TTBK2 Q6IQ55 2/20 0.52
RPS6KA3 P51812 2/20 0.48
MAPKAPK5 Q8IW41 3/20 0.45
TTK P33981 1/20 0.42
VCP P55072 1/20 0.42
JAK2 O60674 1/20 0.41
SYK P43405 1/20 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
SCHEMBL1048645 0.86 ZAP70 (0.71) ZAP70TTBK1TTBK2MAPKAPK5TTK
SCHEMBL1048387 0.84 ZAP70 (0.73) ZAP70TTBK1TTBK2MAPKAPK5TTK
SCHEMBL1045544 0.84 ZAP70 (1.00) ZAP70TTBK1TTBK2MAPKAPK5TTK
SCHEMBL1048934 0.84 ZAP70 (0.67) ZAP70TTBK1TTBK2MAPKAPK5JAK2
SCHEMBL1047715 0.83 ZAP70 (0.63) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1045599 0.82 ZAP70 (0.47) ZAP70TTBK1TTBK2RPS6KA3JAK2
SCHEMBL1048456 0.82 ZAP70 (0.75) ZAP70TTBK1TTBK2MAPKAPK5JAK2
SCHEMBL12928858 0.81 ZAP70 (0.68) ZAP70TTBK1TTBK2MAPKAPK5TTK
SCHEMBL1048075 0.81 ZAP70 (1.00) ZAP70TTBK1TTBK2MAPKAPK5TTK
SCHEMBL1047395 0.80 ZAP70 (0.48) ZAP70TTBK1TTBK2

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 11 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-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
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
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.