SCHEMBL1048436

SCHEMBL1048436

O=c1[nH]ccc2cc(-c3cn[nH]c3)nc(Nc3cccc(C(F)(F)F)c3)c12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 8/20 0.58
LRRK2 Q5S007 1/20 0.49
NTRK1 P04629 2/20 0.43
CHEK1 O14757 2/20 0.40
JAK2 O60674 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ROCK2 O75116 1/20 0.39
CDK8 P49336 1/20 0.38

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
SCHEMBL1050028 0.89 ZAP70 (0.66) ZAP70LRRK2JAK2HTT
SCHEMBL1045593 0.87 ZAP70 (0.63) ZAP70LRRK2LMNAMAPTMAPK1
SCHEMBL1045352 0.85 ZAP70 (0.59) ZAP70LRRK2MAPT
SCHEMBL12928852 0.84 ZAP70 (0.60) ZAP70LRRK2JAK2MAPTHTT
SCHEMBL1044810 0.77 ZAP70 (0.72) ZAP70LRRK2JAK2LMNAHTT
SCHEMBL1048050 0.76 ZAP70 (0.62) ZAP70LRRK2JAK2LMNAMAPT
SCHEMBL1046978 0.76 ZAP70 (0.70) ZAP70LRRK2CHEK1JAK2LMNA
SCHEMBL1047673 0.76 ZAP70 (0.59) ZAP70LRRK2JAK2LMNAMAPT
SCHEMBL1083391 0.75 ZAP70 (0.69) ZAP70LRRK2CHEK1JAK2HTT
SCHEMBL1043547 0.74 ZAP70 (0.54) ZAP70JAK2

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 4/4885LRRK2 517/4885NTRK1 15/4885

“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.