SCHEMBL3403438

SCHEMBL3403438

COc1cc(N2CCOCC2)ccc1Nc1cc(I)c(Cl)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 7/20 0.67
ALK Q9UM73 7/20 0.67
LRRK2 Q5S007 3/20 0.64
MAPK10 P53779 8/20 0.63
MAPK9 P45984 6/20 0.63
IGF1R P08069 3/20 0.54
EGFR P00533 2/20 0.54
ZAP70 P43403 2/20 0.54
MAPK8 P45983 2/20 0.54
KCNH2 Q12809 1/20 0.54
PTK2 Q05397 2/20 0.53
CDC7 O00311 1/20 0.53
PLK4 O00444 1/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
DCLK1 O15075 1/20 0.53
PDPK1 O15530 1/20 0.53
DAPK3 O43293 1/20 0.53
DYRK3 O43781 1/20 0.53
JAK2 O60674 1/20 0.53

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
SCHEMBL3399413 0.88 INSR (0.57) INSRALKLRRK2MAPK10MAPK9
SCHEMBL3405312 0.81 MAPK10 (0.62) LRRK2MAPK10PLK4AURKALCK
SCHEMBL2060832 0.81 ALK (0.82) INSRALKLRRK2MAPK10MAPK9
SCHEMBL3400844 0.79 MAPK10 (0.85) INSRALKLRRK2MAPK10MAPK9
SCHEMBL28053893 0.79 ALK (0.63) INSRALKLRRK2MAPK10MAPK9
SCHEMBL12311873 0.78 LRRK2 (1.00) INSRALKLRRK2MAPK10MAPK9
SCHEMBL1232888 0.78 MAPK10 (1.00) INSRALKLRRK2MAPK10MAPK9
SCHEMBL15184331 0.78 INSR (0.54) INSRALKLRRK2MAPK10MAPK9
SCHEMBL3775588 0.77 MAPK10 (0.86) INSRALKLRRK2MAPK10MAPK9
SCHEMBL12886654 0.77 MAPK10 (0.60) INSRALKLRRK2MAPK10MAPK9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317663-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-12-16 US disclosed
US-20100317663-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-12-16 US disclosed
US-20100317663-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-12-16 US disclosed
EP-2249650-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK GlaxoSmithKline LLC (US) 2010-11-17 EP disclosed
WO-2009105498-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 WO disclosed
WO-2009105498-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 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-20100317663-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK PTK2, JAK2, SRC INSR 572/4885ALK 342/4885LRRK2 549/4885

“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.