SCHEMBL517778

SCHEMBL517778

NS(=O)(=O)c1ccc2ccn(-c3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CDC7 O00311 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DCLK1 O15075 1/20 0.47
MAPK13 O15264 1/20 0.47
PDPK1 O15530 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
CHEK2 O96017 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
NTRK1 P04629 1/20 0.47
PRKCG P05129 1/20 0.47
INSR P06213 1/20 0.47
LCK P06239 1/20 0.47

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
SCHEMBL15712770 0.75 SMN1; SMN2 (0.55) CDC7FGFR1CDK2TDP1SMN1; SMN2
SCHEMBL517089 0.73 CYP2A6 (0.50) LMNACA2CA9CA1CA12
SCHEMBL15640935 0.73 FGFR1 (0.58) FGFR1SRCMAPK1PTGS1PTGS2
SCHEMBL27626426 0.72 FGFR1 (0.57) LMNACDC7FGFR1MAPK1SMN1; SMN2
SCHEMBL7134125 0.72 PLA2G4A (0.52) SMN1; SMN2PLA2G4AHTR6BIRC5
SCHEMBL14699107 0.72 PARG (0.39) LMNACDC7CHEK1AURKADCLK1
SCHEMBL157573 0.71 BIRC5 (0.62) CDC7ROCK2PIM1FGFR1CDK2
SCHEMBL5663847 0.71 CDC7 (0.49) CDC7CDK2ROCK1SMN1; SMN2PLA2G4A
SCHEMBL5661673 0.71 FGFR1 (0.47) FGFR1MAPK1TDP1SMN1; SMN2PLA2G4A
SCHEMBL15741202 0.71 CDC7 (0.49) CDC7CDK2ROCK1SMN1; SMN2PLA2G4A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 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 (2 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY LMNA 2697/4885CDC7 2146/4885CHEK1 2924/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY LMNA 2697/4885CDC7 2146/4885CHEK1 2924/4885

“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.