SCHEMBL1298729

SCHEMBL1298729

COC(=O)c1ccc2nc(C(=O)c3ccc(F)cc3)nc(Nc3cc(C)[nH]n3)n12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 0.46
AURKB Q96GD4 3/20 0.46
RET P07949 1/20 0.38
F2 P00734 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SYK P43405 2/20 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
SCHEMBL1298385 0.91 AURKA (0.49) AURKAAURKBRETSYK
SCHEMBL3244637 0.90 AURKA (0.49) AURKAAURKBRETSYK
SCHEMBL1298420 0.87 AURKA (0.49) AURKAAURKBRETSYK
SCHEMBL1298578 0.81 DHODH (0.39) AURKAAURKBRETSYK
SCHEMBL1298492 0.81 JAK2 (0.52) AURKAAURKBRETSYK
SCHEMBL1298984 0.81 JAK2 (0.41) AURKAAURKBRETSYK
SCHEMBL1298875 0.81 JAK2 (0.41) AURKAAURKBRETSYK
SCHEMBL1298842 0.81 JAK2 (0.41) AURKAAURKBRETSYK
SCHEMBL1298726 0.80 AURKA (0.50) AURKAAURKBRETSYK
SCHEMBL1299293 0.79 KMT2A (0.38) F2MAPTKMT2A

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 2 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
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 507/4885RET 360/4885

“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.