SCHEMBL1049378

SCHEMBL1049378

CN(C)Cc1cc2cc[nH]c(=O)c2c(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.63
LRRK2 Q5S007 1/20 0.51
IDH2 P48735 2/20 0.42
HTT P42858 1/20 0.42
SYK P43405 3/20 0.42
FER P16591 1/20 0.41
EGFR P00533 1/20 0.40
CAMK1D Q8IU85 2/20 0.40
JAK2 O60674 2/20 0.39
BRAF P15056 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
JAK1 P23458 1/20 0.39
KIF11 P52732 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
SCHEMBL1044810 0.85 ZAP70 (0.72) ZAP70LRRK2HTTSYKFER
SCHEMBL1046978 0.83 ZAP70 (0.70) ZAP70LRRK2HTTSYKFER
SCHEMBL1048050 0.83 ZAP70 (0.62) ZAP70LRRK2IDH2HTTFER
SCHEMBL1083391 0.82 ZAP70 (0.69) ZAP70LRRK2IDH2HTTSYK
SCHEMBL1046442 0.81 ZAP70 (0.46) ZAP70LRRK2SYKEGFRJAK2
SCHEMBL1050028 0.80 ZAP70 (0.66) ZAP70LRRK2IDH2HTTFER
SCHEMBL1045593 0.78 ZAP70 (0.63) ZAP70LRRK2IDH2HTT
SCHEMBL1048379 0.78 ZAP70 (0.60) ZAP70SYKFERJAK2JAK1
SCHEMBL1045408 0.77 ZAP70 (1.00) ZAP70LRRK2HTTSYKFER
SCHEMBL12928852 0.76 ZAP70 (0.60) ZAP70LRRK2HTTJAK2BRAF

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 7 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-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
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 517/4885IDH2 3406/4885

“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.