SCHEMBL16795409

SCHEMBL16795409

Cc1cc(NC2CCNCC2)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.45
BRD4 O60885 2/20 0.43
ATAD2 Q6PL18 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
ITK Q08881 1/20 0.41
CYP1A2 P05177 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.39
SELP P16109 1/20 0.39
TYRO3 Q06418 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HTR6 P50406 2/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL20281481 0.89 BRD4 (0.45) BRD4ATAD2HRH3ITKMAPK1
SCHEMBL20281605 0.89 BRD4 (0.45) BRD4ATAD2HRH3ITKMAPK1
SCHEMBL20281480 0.89 BRD4 (0.45) BRD4ATAD2HRH3ITKMAPK1
SCHEMBL21590382 0.85 NOS2 (0.44) NOS2BRD4ATAD2HRH3ITK
SCHEMBL2276674 0.81 PLK4 (0.46) BRD4ATAD2HRH3CYP1A2HSD17B10
Hydrochloric Acid SCHEMBL3780225 0.80 PLK4 (0.45) BRD4ATAD2HRH3CYP1A2HSD17B10
SCHEMBL20281444 0.80 BRD4 (0.47) BRD4ITKMAPK1HTR6
SCHEMBL12634148 0.80 BRD4 (0.48) BRD4ATAD2HRH3ITKCYP1A2
Hydrochloric Acid SCHEMBL1871565 0.78 BRD4 (0.47) BRD4ATAD2HRH3ITKCYP1A2
SCHEMBL8417964 0.75 FGFR2 (0.40) CYP1A2ALDH1A1MEN1CYP2D6KMT2A

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-20210122763-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-04-29 US disclosed
WO-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 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-20210122763-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN NOS2 4516/4885BRD4 2664/4885ATAD2 1326/4885

“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.