SCHEMBL3698710

SCHEMBL3698710

CC(C)(C)OC(=O)n1cc(Cn2ccc3c([N+](=O)[O-])cccc32)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.41
BRD4 O60885 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MET P08581 3/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
BCHE P06276 1/20 0.35
HTR6 P50406 1/20 0.35
CTSB P07858 3/20 0.35
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 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
SCHEMBL3697440 0.90 BRD4 (0.37) ELANEBRD4L3MBTL1METPOLB
SCHEMBL3706703 0.86 L3MBTL1 (0.41) ELANEBRD4L3MBTL1BCHEHTR6
SCHEMBL4569772 0.80 SMN1; SMN2 (0.43) ELANEBRD4L3MBTL1METPOLB
SCHEMBL3704782 0.79 ELANE (0.42) ELANEL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3710717 0.79 PTGER3 (0.41) L3MBTL1POLBALDH1A1HTTSMN1; SMN2
SCHEMBL30940044 0.77 L3MBTL1 (0.47) ELANEBRD4L3MBTL1POLBHTR6
SCHEMBL3705482 0.77 L3MBTL1 (0.47) ELANEBRD4L3MBTL1POLBHTR6
SCHEMBL27807508 0.76 HTR6 (0.38) L3MBTL1METALDH1A1LMNAHTT
SCHEMBL3702005 0.76 PTGER3 (0.44) ELANEL3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL12826124 0.76 P2RX3 (0.39) BRD4METALDH1A1HTTSMN1; SMN2

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 5 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-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 ELANE 2008/4885BRD4 2118/4885L3MBTL1 4116/4885

“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.