SCHEMBL16198629

SCHEMBL16198629

Cc1cccc(-n2nc(C(C)(C)C)[nH]c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.47
ALDH1A1 P00352 2/20 0.45
ADORA3 P0DMS8 3/20 0.45
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
MAPK14 Q16539 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
HSP90AA1 P07900 1/20 0.42
MGLL Q99685 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL16198628 0.85 HPGD (0.49) ALDH1A1MGLLKMT2AL3MBTL1LMNA
SCHEMBL18994202 0.83 LMNA (0.44) ALDH1A1ADORA3NPC1RAB9AMAPK14
SCHEMBL9966144 0.82 ALDH1A1 (0.44) ALDH1A1ADORA3RAB9AHSP90AA1KMT2A
SCHEMBL7652832 0.77 RPA1 (0.51) ALDH1A1ADORA3NPBWR1MCHR1NPC1
SCHEMBL10439124 0.74 NPC1 (0.55) ALDH1A1ADORA3NPBWR1MCHR1NPC1
SCHEMBL29001505 0.73 CTSK (0.43) RIPK2ALDH1A1ADORA3NPBWR1MCHR1
SCHEMBL5905967 0.70 CYP1A2 (0.48) ALDH1A1ADORA3NPBWR1MCHR1NPC1
SCHEMBL8775840 0.70 NPC1 (0.54) ALDH1A1ADORA3NPBWR1MCHR1NPC1
SCHEMBL16788814 0.70 MAPK14 (0.55) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23401692 0.69 MAPK14 (0.57) RIPK2ALDH1A1MAPK14MAPK13MAPK12

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-9981999-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-29 US disclosed
US-20170362260-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-21 US disclosed
US-9683002-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-20 US disclosed
US-20160090393-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-31 US disclosed
US-9045443-B2 Nitric oxide donor neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-06-02 US disclosed
US-20150119571-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-30 US disclosed
US-8871792-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-28 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 (3 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-20150119571-A1 NEPRILYSIN INHIBITORS MME, REN, ACE RIPK2 3409/4885ALDH1A1 2394/4885ADORA3 744/4885
US-20160090393-A1 NEPRILYSIN INHIBITORS MME, REN, ACE RIPK2 3409/4885ALDH1A1 2394/4885ADORA3 744/4885
US-20170362260-A1 NEPRILYSIN INHIBITORS MME, REN, ACE RIPK2 3409/4885ALDH1A1 2394/4885ADORA3 744/4885

“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.