SCHEMBL14738709

SCHEMBL14738709

CC(C)(C)c1ccc2c(I)n[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.46
GSK3B P49841 3/20 0.46
FGFR1 P11362 2/20 0.46
FLT3 P36888 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CHEK1 O14757 2/20 0.46
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
CHUK O15111 1/20 0.46
PDPK1 O15530 1/20 0.46
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 1/20 0.46
ABL1 P00519 1/20 0.46
NTRK1 P04629 1/20 0.46
PRKCG P05129 1/20 0.46
INSR P06213 1/20 0.46
LCK P06239 1/20 0.46

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
SCHEMBL26124043 0.86 PRKAA1 (0.41) KIF11GSK3BFGFR1FLT3CLK4
SCHEMBL30586177 0.82 TRPA1 (0.55) KIF11GSK3BTRPA1METAP2MAPK1
SCHEMBL1513093 0.82 TRPA1 (0.55) KIF11GSK3BTRPA1METAP2MAPK1
SCHEMBL12962020 0.80 KIF11 (0.47) KIF11GSK3BFGFR1FLT3CLK4
SCHEMBL10152397 0.80 KIF11 (0.47) KIF11GSK3BFGFR1FLT3CLK4
SCHEMBL84515 0.80 PDPK1 (0.55) KIF11GSK3BFGFR1FLT3CLK4
SCHEMBL23478517 0.79 KIF11 (0.46) KIF11GSK3BFGFR1FLT3CLK4
SCHEMBL12365607 0.76 GSK3B (0.49) KIF11GSK3BFGFR1FLT3CLK4
SCHEMBL12258101 0.76 KIF11 (0.44) KIF11GSK3BFGFR1FLT3CLK4
SCHEMBL18806114 0.76 KIF11 (0.44) KIF11GSK3BFGFR1FLT3CLK4

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 KIF11 4243/4885GSK3B 1192/4885FGFR1 943/4885

“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.