SCHEMBL3399758

SCHEMBL3399758

Cc1cnc(Nc2ccc(N3CCOCC3)cc2)cc1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.54
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
IGF1R P08069 3/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
PTK2B Q14289 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CD274 Q9NZQ7 1/20 0.49
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
MAPK14 Q16539 2/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
PLK4 O00444 1/20 0.47

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
SCHEMBL3405312 0.85 MAPK10 (0.62) MAPK10MAPTMAPK1TP53MAPK13
SCHEMBL3399413 0.82 INSR (0.57) MAPK10IGF1R
SCHEMBL31586825 0.77 CCND3 (0.51) MAPK10MAPTMAPK1TP53LMNA
SCHEMBL374409 0.75 CD274 (0.59) MAPK10MAPTMAPK1TP53IGF1R
SCHEMBL29300850 0.73 ALDH1A1 (0.55) MAPTALDH1A1LMNAGAA
SCHEMBL374117 0.73 CD274 (0.57) MAPK10MAPTMAPK1TP53CD274
SCHEMBL3774045 0.73 MAPK10 (0.77) MAPK10IGF1RPTK2BJAK2
SCHEMBL4403172 0.72 MAPK10 (0.52) MAPK10MAPTLMNAJAK2JAK3
SCHEMBL2194198 0.72 JAK2 (0.56) MAPK10MAPTMAPK1TP53CD274
SCHEMBL29777450 0.72 SYK (0.60) MAPK10MAPTMAPK1TP53IGF1R

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 MAPK10 386/4885MAPT 3073/4885MAPK1 148/4885

“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.