SCHEMBL12102479

SCHEMBL12102479

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nn3cc(OCCCN4CCOCC4)cc23)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.45
AURKB Q96GD4 4/20 0.42
AURKC Q9UQB9 2/20 0.41
IGF1R P08069 2/20 0.39
NTRK1 P04629 1/20 0.38
EPHX2 P34913 5/20 0.37
JAK2 O60674 2/20 0.37
FGFR2 P21802 1/20 0.37
JAK3 P52333 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK1 P28482 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN2A Q99250 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL12105197 0.90 AURKA (0.40) AURKAAURKBAURKCIGF1RNTRK1
SCHEMBL12105285 0.88 AURKA (0.41) AURKAAURKBAURKCIGF1RNTRK1
SCHEMBL12102453 0.86 AURKA (0.43) AURKAAURKBAURKCNTRK1JAK2
SCHEMBL1298678 0.85 TGFBR1 (0.43) AURKAAURKBAURKCJAK2ALDH1A1
SCHEMBL12102405 0.83 CD274 (0.45) AURKAAURKBAURKCEPHX2JAK2
SCHEMBL12102673 0.83 AURKA (0.52) AURKAAURKBAURKCJAK2
SCHEMBL12102451 0.83 AURKA (0.60) AURKAAURKBAURKC
SCHEMBL12102612 0.82 AURKA (0.42) AURKAAURKBAURKCNTRK1JAK2
SCHEMBL12105279 0.81 JAK2 (0.39) AURKAAURKBAURKCIGF1RNTRK1
SCHEMBL12105307 0.81 AURKA (0.39) AURKAAURKBAURKCIGF1RNTRK1

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.