SCHEMBL12102453

SCHEMBL12102453

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nn3cc(CN4CCOCC4)cc23)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.43
AURKB Q96GD4 3/20 0.43
AURKC Q9UQB9 2/20 0.43
PIK3CA P42336 4/20 0.41
JAK2 O60674 4/20 0.40
PIK3R1 P27986 3/20 0.40
NTRK1 P04629 4/20 0.40
JAK3 P52333 4/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
PAK4 O96013 2/20 0.39
PLK4 O00444 2/20 0.39
PIK3CD O00329 1/20 0.37
RAF1 P04049 1/20 0.37
PIK3CB P42338 1/20 0.37

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
SCHEMBL12105285 0.89 AURKA (0.41) AURKAAURKBAURKCJAK2NTRK1
SCHEMBL12105282 0.88 JAK2 (0.39) AURKAAURKBJAK2NTRK1PAK4
SCHEMBL12102601 0.88 AURKA (0.47) AURKAAURKBAURKCJAK2NTRK1
SCHEMBL12105197 0.88 AURKA (0.40) AURKAAURKBAURKCJAK2NTRK1
SCHEMBL12105172 0.87 JAK2 (0.39) AURKAAURKBAURKCJAK2NTRK1
SCHEMBL12102451 0.86 AURKA (0.60) AURKAAURKBAURKC
SCHEMBL12102479 0.86 AURKA (0.45) AURKAAURKBAURKCJAK2NTRK1
SCHEMBL12102612 0.86 AURKA (0.42) AURKAAURKBAURKCJAK2NTRK1
SCHEMBL12105304 0.85 NTRK1 (0.43) AURKAAURKBJAK2NTRK1JAK3
SCHEMBL12102430 0.85 NTRK1 (0.43) AURKAAURKBJAK2NTRK1PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 AURKA 601/4885AURKB 507/4885AURKC 393/4885

“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.