SCHEMBL1298249

SCHEMBL1298249

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3ccc(CNC(=O)CN4CCOCC4)n23)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
AURKA O14965 6/20 0.38
AURKB Q96GD4 3/20 0.38
AURKC Q9UQB9 2/20 0.38
RET P07949 4/20 0.36
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
PAK4 O96013 1/20 0.35
PLK1 P53350 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1298585 0.88 AURKA (0.42) KMT2AAURKAAURKBAURKCRET
SCHEMBL1298281 0.87 JAK3 (0.39) AURKAAURKBPAK4JAK2JAK3
SCHEMBL1299140 0.86 RET (0.40) AURKAAURKBRETPAK4
SCHEMBL1298730 0.84 CD274 (0.43) AURKATSHR
SCHEMBL1298407 0.83 ATM (0.42) AURKAAURKBAURKCRETATM
SCHEMBL1298354 0.83 AURKA (0.39) AURKAAURKBRETJAK2JAK3
SCHEMBL1298948 0.82 PAK4 (0.45) AURKAAURKBRETPAK4JAK2
SCHEMBL1298355 0.81 AURKA (0.37) AURKAAURKBRETJAK2JAK3
SCHEMBL1298787 0.81 KDM4E (0.37) AURKARETPAK4JAK2JAK3
SCHEMBL1298579 0.80 DHODH (0.40) AURKAAURKBRETPAK4JAK2

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 4 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 claimed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO claimed
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 KMT2A 854/4885AURKA 601/4885AURKB 507/4885

“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.