SCHEMBL1045352

SCHEMBL1045352

O=c1[nH]ccc2cc(-c3cccnc3)nc(Nc3cccc(C(F)(F)F)c3)c12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 8/20 0.59
KIF11 P52732 1/20 0.50
LRRK2 Q5S007 1/20 0.50
PIKFYVE Q9Y2I7 3/20 0.48
CTSC P53634 2/20 0.47
KIT P10721 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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 0.92 ZAP70 (0.66) ZAP70KIF11LRRK2ABCG2
SCHEMBL1045593 0.90 ZAP70 (0.63) ZAP70LRRK2CTSCKMT2AMEN1
SCHEMBL12928852 0.87 ZAP70 (0.60) ZAP70LRRK2CTSCMAPTABCG2
SCHEMBL1048436 0.85 ZAP70 (0.58) ZAP70LRRK2MAPT
SCHEMBL12960913 0.84 KIF11 (0.54) KIF11CTSCKMT2AMEN1MAPT
SCHEMBL12928851 0.81 ZAP70 (0.50) ZAP70KIF11CTSCKITKMT2A
SCHEMBL12928768 0.79 ABL1 (0.54) KIF11CTSCKITKMT2AMEN1
SCHEMBL1044810 0.78 ZAP70 (0.72) ZAP70LRRK2
SCHEMBL1049006 0.78 ZAP70 (0.70) ZAP70
SCHEMBL13753077 0.77 KIF11 (0.47) KIF11CTSCKMT2AMEN1MAPT

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 4/4885KIF11 3759/4885LRRK2 517/4885

“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.