SCHEMBL4306576

SCHEMBL4306576

NC(=O)OC(Cn1ncnn1)c1ccc(F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.33
AKT1 P31749 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PLA2G1B P04054 1/20 0.32
POLB P06746 1/20 0.31
PTGS2 P35354 1/20 0.31
TRPA1 O75762 1/20 0.31
CACNA1H O95180 2/20 0.31
APP P05067 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL4311346 0.86 CYP19A1 (0.37) POLBPTGS2
SCHEMBL4309952 0.85 IDO1 (0.35) RPS6KB1AKT1AURKBINCENPCES2
SCHEMBL13667375 0.84 CYP19A1 (0.41) POLB
SCHEMBL13667373 0.84 CYP19A1 (0.41) POLB
SCHEMBL4312862 0.84 CYP19A1 (0.41) POLB
SCHEMBL13667425 0.83 SLC6A2 (0.42) RPS6KB1POLB
SCHEMBL4310558 0.83 SLC6A2 (0.42) RPS6KB1POLB
SCHEMBL4312963 0.83 KIF11 (0.38) RPS6KB1AKT1AURKBINCENPCES2
SCHEMBL13667415 0.83 SLC6A2 (0.42) RPS6KB1POLB
SCHEMBL4308608 0.83 POLB (0.36) POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 US disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 RPS6KB1 3472/4885AKT1 2889/4885AURKB 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.