SCHEMBL1298792

SCHEMBL1298792

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 5/20 0.39
DHODH Q02127 1/20 0.39
AURKA O14965 5/20 0.37
AURKB Q96GD4 3/20 0.37
NTRK1 P04629 4/20 0.35
SYK P43405 3/20 0.35
PLK4 O00444 1/20 0.35
PAK4 O96013 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
GSK3B P49841 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
SCHEMBL1298754 0.86 DHODH (0.44) DHODHAURKAAURKBNTRK1SYK
SCHEMBL1298935 0.85 DHODH (0.40) DHODHAURKAAURKBNTRK1SYK
SCHEMBL1298027 0.84 DHODH (0.42) DHODHAURKAAURKBNTRK1SYK
SCHEMBL1299027 0.83 DHODH (0.40) DHODHAURKAAURKBNTRK1SYK
SCHEMBL1299555 0.83 DHODH (0.40) DHODHAURKAAURKBNTRK1SYK
SCHEMBL1299121 0.83 JAK2 (0.36) PIK3C3DHODHAURKAAURKBNTRK1
SCHEMBL1298578 0.82 DHODH (0.39) DHODHAURKAAURKBNTRK1SYK
SCHEMBL1299082 0.81 DHODH (0.40) DHODHAURKAAURKBNTRK1SYK
SCHEMBL1298579 0.81 DHODH (0.40) DHODHAURKAAURKBNTRK1SYK
SCHEMBL1298952 0.81 DHODH (0.40) DHODHAURKAAURKBNTRK1SYK

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 PIK3C3 230/4885DHODH 3113/4885AURKA 601/4885

“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.