SCHEMBL3706703

SCHEMBL3706703

CC(C)(C)OC(=O)n1cc(Cn2ccc3c(N)cccc32)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.39
EPHX1 P07099 1/20 0.37
ELANE P08246 4/20 0.37
HTR6 P50406 2/20 0.37
BCHE P06276 1/20 0.37
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ATM Q13315 1/20 0.34
DTYMK P23919 1/20 0.34
TBXAS1 P24557 2/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL3698821 0.89 L3MBTL1 (0.36) L3MBTL1BRD4EPHX1HTR6BCHE
SCHEMBL3698710 0.86 ELANE (0.41) L3MBTL1BRD4ELANEHTR6BCHE
SCHEMBL3704782 0.83 ELANE (0.42) L3MBTL1ELANEHTR6BCHE
SCHEMBL3710717 0.82 PTGER3 (0.41) L3MBTL1HTR6BCHE
SCHEMBL3702005 0.80 PTGER3 (0.44) L3MBTL1ELANE
SCHEMBL3702550 0.79 PTGER3 (0.47)
SCHEMBL3708155 0.79 P2RY1 (0.44)
SCHEMBL3712537 0.79 MEN1 (0.46) L3MBTL1
SCHEMBL10150150 0.79 SLC2A1 (0.37) TBXAS1
SCHEMBL4569771 0.78 L3MBTL1 (0.50) L3MBTL1BRD4EPHX1ELANEHTR6

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
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US disclosed
WO-2011023081-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2011-03-03 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 L3MBTL1 4116/4885BRD4 2118/4885EPHX1 240/4885

“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.