SCHEMBL1298935

SCHEMBL1298935

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
RET P07949 1/20 0.38
NTRK1 P04629 5/20 0.36
SYK P43405 3/20 0.36
AURKA O14965 3/20 0.36
PLK4 O00444 1/20 0.36
PAK4 O96013 1/20 0.36
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
JAK2 O60674 4/20 0.35
AURKB Q96GD4 1/20 0.35
CYP2C19 P33261 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C8 P10632 3/20 0.35
CYP2C9 P11712 3/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 3/20 0.35
JAK3 P52333 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL1299027 0.93 DHODH (0.40) DHODHRETNTRK1SYKAURKA
SCHEMBL1298578 0.91 DHODH (0.39) DHODHRETNTRK1SYKAURKA
SCHEMBL3125910 0.89 DHODH (0.39) DHODHRETNTRK1SYKAURKA
SCHEMBL1298452 0.89 DHODH (0.39) DHODHRETNTRK1SYKAURKA
SCHEMBL1298027 0.87 DHODH (0.42) DHODHRETNTRK1SYKAURKA
SCHEMBL1298754 0.87 DHODH (0.44) DHODHNTRK1SYKAURKAPLK4
SCHEMBL1298872 0.87 DHODH (0.36) DHODHRETNTRK1SYKAURKA
SCHEMBL1299140 0.86 RET (0.40) DHODHRETNTRK1SYKAURKA
SCHEMBL1298948 0.85 PAK4 (0.45) DHODHRETNTRK1AURKAPAK4
SCHEMBL1298792 0.85 PIK3C3 (0.39) DHODHNTRK1SYKAURKAPLK4

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 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

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 3113/4885RET 360/4885NTRK1 1980/4885

“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.