SCHEMBL1047673

SCHEMBL1047673

O=c1[nH]ccc2cc(C3CCCCC3)nc(Nc3cccc(C(F)(F)F)c3)c12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.59
LRRK2 Q5S007 1/20 0.57
FER P16591 1/20 0.48
CTSC P53634 1/20 0.44
ADORA1 P30542 1/20 0.42
KIF11 P52732 1/20 0.40
BTK Q06187 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
SLC2A1 P11166 1/20 0.40
IDH2 P48735 2/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
EGFR P00533 1/20 0.39
HTT P42858 1/20 0.39

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 0.81 ZAP70 (0.66) ZAP70LRRK2FERKIF11JAK2
SCHEMBL1045593 0.80 ZAP70 (0.63) ZAP70LRRK2CTSCIDH2LMNA
SCHEMBL12655285 0.78 LRRK2 (0.64) ZAP70LRRK2FERCTSCJAK2
SCHEMBL1044810 0.78 ZAP70 (0.72) ZAP70LRRK2FERBTKJAK2
SCHEMBL12928852 0.77 ZAP70 (0.60) ZAP70LRRK2CTSCJAK2POLB
SCHEMBL1046298 0.77 ZAP70 (0.60) ZAP70LRRK2FERCTSCJAK2
SCHEMBL12928841 0.77 ZAP70 (0.60) ZAP70LRRK2FERCTSCJAK2
SCHEMBL1046978 0.77 ZAP70 (0.70) ZAP70LRRK2FERBTKJAK2
SCHEMBL1048050 0.77 ZAP70 (0.62) ZAP70LRRK2FERCTSCJAK2
SCHEMBL1045352 0.77 ZAP70 (0.59) ZAP70LRRK2CTSCKIF11MAPT

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 13 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-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
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 517/4885FER 7/4885

“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.