SCHEMBL1050442

SCHEMBL1050442

O=c1[nH]ccc2cc(-c3cncnc3)nc(Nc3ccc4c(C5=CCNCC5)n[nH]c4c3)c12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 17/20 0.52
CYP1A2 P05177 1/20 0.35
GRM4 Q14833 1/20 0.35
MAPK10 P53779 1/20 0.34
MAPK14 Q16539 1/20 0.34
AXL P30530 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
SCHEMBL1046789 0.82 ZAP70 (0.58) ZAP70
SCHEMBL1046549 0.81 ZAP70 (0.60) ZAP70CYP1A2GRM4
SCHEMBL1047891 0.77 ZAP70 (0.59) ZAP70CYP1A2GRM4
SCHEMBL1158232 0.76 ZAP70 (0.55) ZAP70CYP1A2GRM4
SCHEMBL1049511 0.76 ZAP70 (0.61) ZAP70AXL
SCHEMBL1158493 0.76 ZAP70 (0.55) ZAP70
SCHEMBL6525685 0.73 ZAP70 (0.75) ZAP70
SCHEMBL1158319 0.73 ZAP70 (0.53) ZAP70
SCHEMBL1158562 0.72 ZAP70 (0.59) ZAP70
SCHEMBL1158209 0.72 ZAP70 (0.78) 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 8 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
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 4/4885CYP1A2 3670/4885GRM4 961/4885

“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.