SCHEMBL4569772

SCHEMBL4569772

CB(O)n1cc(Cn2ccc3c([N+](=O)[O-])cccc32)c2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
MET P08581 2/20 0.40
POLB P06746 3/20 0.39
KDM4E B2RXH2 3/20 0.38
ELANE P08246 1/20 0.37
MAPT P10636 3/20 0.37
CTSB P07858 2/20 0.37
BRD4 O60885 2/20 0.37
KCNH2 Q12809 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL4569770 0.84 CYP19A1 (0.34) BRD4NPC1HSP90AA1RAB9A
SCHEMBL3698710 0.80 ELANE (0.41) SMN1; SMN2ALDH1A1HTTLMNAMET
SCHEMBL3696706 0.74 MET (0.47) SMN1; SMN2ALDH1A1HTTLMNAMET
SCHEMBL4569769 0.73 KDM4E (0.41) SMN1; SMN2HTTLMNAPOLBKDM4E
SCHEMBL4569768 0.72 FEN1 (0.40) ALDH1A1KDM4EELANEMAPTMEN1
SCHEMBL3697440 0.71 BRD4 (0.37) SMN1; SMN2ALDH1A1HTTLMNAMET
SCHEMBL5592545 0.68 RECQL (0.42) SMN1; SMN2ALDH1A1HTTLMNAMET
SCHEMBL3698918 0.68 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1HTTLMNAMET
SCHEMBL3690450 0.67 GAA (0.49) SMN1; SMN2ALDH1A1HTTLMNAMET
SCHEMBL10150150 0.67 SLC2A1 (0.37) HSP90AA1

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 2 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 SMN1; SMN2 4413/4885ALDH1A1 1084/4885HTT 2768/4885

“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.