SCHEMBL1077213

SCHEMBL1077213

CNC(=O)C(C)(C)c1ccc(Nc2nc(-c3cnc(C)nc3)cc3cc[nH]c(=O)c23)cc1.Cc1cccc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(OCCN4CCCC4)cc3)n2)c1S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 7/20 0.52
BRD4 O60885 5/20 0.39
JAK2 O60674 5/20 0.39
JAK3 P52333 4/20 0.39
BRDT Q58F21 2/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
SRC P12931 7/20 0.38
PDGFRB P09619 4/20 0.38
JAK1 P23458 4/20 0.38
RET P07949 2/20 0.38
TYK2 P29597 2/20 0.38
FLT3 P36888 2/20 0.38
HDAC1 Q13547 2/20 0.38
SYK P43405 2/20 0.38
ABL1 P00519 2/20 0.38
EGFR P00533 2/20 0.38
LCK P06239 2/20 0.38
FYN P06241 2/20 0.38
YES1 P07947 2/20 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
SCHEMBL1045772 0.86 ZAP70 (0.67) ZAP70BRD4JAK2JAK3BRDT
SCHEMBL1049894 0.77 ZAP70 (0.82) ZAP70TYK2
SCHEMBL1044243 0.75 ZAP70 (0.55) ZAP70JAK2JAK3JAK1TYK2
SCHEMBL1046183 0.75 AXL (0.51) ZAP70BRD4JAK2JAK3BRDT
SCHEMBL1048606 0.74 ZAP70 (0.50) ZAP70JAK2SYK
SCHEMBL1046940 0.74 ZAP70 (0.56) ZAP70JAK2SYK
SCHEMBL1045805 0.74 ZAP70 (0.58) ZAP70JAK2TYK2FLT3SYK
SCHEMBL1049893 0.72 ZAP70 (0.80) ZAP70TYK2SYK
SCHEMBL1045382 0.72 ZAP70 (0.58) ZAP70JAK2JAK3SRCSYK
SCHEMBL1049221 0.71 ZAP70 (0.61) ZAP70BRD4JAK2FLT3SYK

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 2 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 disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US 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 4/4885BRD4 2595/4885JAK2 63/4885

“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.