SCHEMBL1050028

SCHEMBL1050028

O=c1[nH]ccc2cc(-c3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)c12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 7/20 0.66
LRRK2 Q5S007 1/20 0.57
XDH P47989 1/20 0.46
JAK2 O60674 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
HTT P42858 1/20 0.43
BRAF P15056 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
IDH2 P48735 2/20 0.42
KIF11 P52732 1/20 0.42
FER P16591 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
SCHEMBL1045593 0.96 ZAP70 (0.63) ZAP70LRRK2ABCG2HTTIDH2
SCHEMBL12928852 0.93 ZAP70 (0.60) ZAP70LRRK2XDHJAK2ABCG2
SCHEMBL1045352 0.92 ZAP70 (0.59) ZAP70LRRK2ABCG2KIF11
SCHEMBL1048436 0.89 ZAP70 (0.58) ZAP70LRRK2JAK2HTT
SCHEMBL1044810 0.83 ZAP70 (0.72) ZAP70LRRK2JAK2HTTBRAF
SCHEMBL1048863 0.83 ZAP70 (0.78) ZAP70LRRK2JAK2
SCHEMBL1046978 0.81 ZAP70 (0.70) ZAP70LRRK2JAK2HTTBRAF
SCHEMBL1048050 0.81 ZAP70 (0.62) ZAP70LRRK2JAK2ABCG2HTT
SCHEMBL1047673 0.81 ZAP70 (0.59) ZAP70LRRK2JAK2HTTIDH2
SCHEMBL1083391 0.81 ZAP70 (0.69) ZAP70LRRK2JAK2HTTBRAF

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 4/4885LRRK2 517/4885XDH 4527/4885

“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.