SCHEMBL1298666

SCHEMBL1298666

COCCOCc1ccc2nc(C(F)(F)c3ccc(F)cc3)nc(Nc3cc(C)[nH]n3)n12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
NTRK1 P04629 7/20 0.35
PLK4 O00444 2/20 0.35
PAK4 O96013 1/20 0.35
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
RET P07949 1/20 0.33
SYK P43405 4/20 0.33
AURKA O14965 5/20 0.32
AURKB Q96GD4 3/20 0.32

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
SCHEMBL1298720 0.91 DHODH (0.38) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1298437 0.88 IGF1R (0.36) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1298967 0.87 AURKA (0.36) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1298991 0.86 DHODH (0.37) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1298354 0.86 AURKA (0.39) NTRK1RETAURKAAURKB
SCHEMBL1299082 0.85 DHODH (0.40) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1298579 0.85 DHODH (0.40) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1298510 0.85 DHODH (0.40) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1298355 0.85 AURKA (0.37) NTRK1RETAURKAAURKB
SCHEMBL1298396 0.83 AURKA (0.34) DHODHNTRK1PLK4PAK4NTRK3

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 DHODH 3113/4885NTRK1 1980/4885PLK4 251/4885

“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.