SCHEMBL1050080

SCHEMBL1050080

CNC(=O)C(C)(C)c1ccc(Nc2nc(NCC(F)(F)F)cc3cc[nH]c(=O)c23)cc1.O=c1[nH]ccc2c(CCCc3ccccc3)cnc(Nc3ccc(F)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.47
TGFBR1 P36897 1/20 0.30
JAK2 O60674 2/20 0.30
SGK1 O00141 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
PRKAB2 O43741 1/20 0.30
ROCK2 O75116 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 1/20 0.30
INSR P06213 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
IGF1R P08069 1/20 0.30

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
SCHEMBL1047208 0.82 ZAP70 (0.63) ZAP70JAK2SGK1CHEK1AURKA
SCHEMBL1048143 0.78 ZAP70 (0.41) ZAP70JAK2RETAURKB
SCHEMBL1048569 0.72 ZAP70 (0.63) ZAP70JAK2SGK1CHEK1AURKA
SCHEMBL12928940 0.68 ZAP70 (0.61) ZAP70JAK2SGK1CHEK1AURKA
SCHEMBL1045805 0.67 ZAP70 (0.58) ZAP70JAK2SYK
SCHEMBL1048472 0.67 ZAP70 (0.59) ZAP70JAK2SGK1CHEK1AURKA
SCHEMBL1047056 0.66 CYP11B1 (0.41) ZAP70JAK2
SCHEMBL1049894 0.66 ZAP70 (0.82) ZAP70
SCHEMBL1049893 0.65 ZAP70 (0.80) ZAP70SYK
SCHEMBL1048334 0.65 ZAP70 (1.00) ZAP70

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 4/4885TGFBR1 2576/4885JAK2 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.