SCHEMBL1298730

SCHEMBL1298730

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3ccc(C(=O)NCCN4CCOCC4)n23)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.43
AURKA O14965 1/20 0.42
EPHX2 P34913 4/20 0.41
TSHR P16473 3/20 0.41
PDGFRB P09619 2/20 0.40
KDR P35968 2/20 0.40
FGFR1 P11362 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
KIT P10721 1/20 0.39
HPGDS O60760 1/20 0.38
LMNA P02545 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL1298948 0.86 PAK4 (0.45) AURKATSHRHPGD
SCHEMBL1298407 0.85 ATM (0.42) AURKATSHRHPGD
SCHEMBL1298249 0.84 KMT2A (0.43) AURKATSHR
SCHEMBL1298281 0.84 JAK3 (0.39) AURKA
SCHEMBL1298585 0.84 AURKA (0.42) AURKA
SCHEMBL1298489 0.83 AURKA (0.39) AURKAEPHX2
SCHEMBL1298354 0.82 AURKA (0.39) AURKAKDR
SCHEMBL1298787 0.82 KDM4E (0.37) AURKA
SCHEMBL1299027 0.82 DHODH (0.40) AURKASMN1; SMN2
SCHEMBL1298935 0.82 DHODH (0.40) AURKASMN1; SMN2

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 CD274 2228/4885AURKA 601/4885EPHX2 3492/4885

“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.