SCHEMBL1047997

SCHEMBL1047997

O=c1[nH]ccc2cc(-c3cnccn3)nc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.73
JAK2 O60674 1/20 0.48
MAPKAPK5 Q8IW41 1/20 0.46
AURKA O14965 2/20 0.46
TTBK1 Q5TCY1 1/20 0.45
TTBK2 Q6IQ55 1/20 0.45

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
SCHEMBL1049462 0.88 ZAP70 (0.78) ZAP70JAK2MAPKAPK5TTBK1TTBK2
SCHEMBL1047004 0.87 ZAP70 (0.82) ZAP70JAK2AURKA
SCHEMBL6524285 0.86 ZAP70 (0.65) ZAP70JAK2MAPKAPK5TTBK1TTBK2
SCHEMBL1049968 0.86 ZAP70 (0.72) ZAP70
SCHEMBL1045981 0.86 ZAP70 (0.69) ZAP70JAK2TTBK1TTBK2
SCHEMBL1048269 0.86 ZAP70 (0.69) ZAP70JAK2MAPKAPK5TTBK1TTBK2
SCHEMBL1047843 0.85 ZAP70 (0.70) ZAP70JAK2MAPKAPK5TTBK1TTBK2
SCHEMBL1046458 0.85 ZAP70 (0.79) ZAP70JAK2TTBK1TTBK2
SCHEMBL1049239 0.85 ZAP70 (1.00) ZAP70JAK2AURKA
SCHEMBL1045858 0.85 ZAP70 (0.69) ZAP70

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
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
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
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

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 63/4885MAPKAPK5 297/4885

“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.