SCHEMBL15934337

SCHEMBL15934337

CCOC(=O)NC(NC(=O)OCC)c1ccc(C#N)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
GPR35 Q9HC97 1/20 0.40
MAP2K1 Q02750 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNK3 O14649 1/20 0.37
CTSA P10619 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
SLC6A9 P48067 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL15932445 0.93 SMN1; SMN2 (0.40) SMN1; SMN2MAPK1GPR35MAP2K1PDCD1
SCHEMBL15912960 0.82 MAP2K1 (0.39) MAP2K1MEN1KMT2ACTSAGAA
SCHEMBL23925375 0.81 PDCD1 (0.43) SMN1; SMN2GPR35MAP2K1PDCD1CD274
SCHEMBL29974182 0.81 PDCD1 (0.43) SMN1; SMN2GPR35MAP2K1PDCD1CD274
SCHEMBL29150011 0.79 PDCD1 (0.39) SMN1; SMN2GPR35MAP2K1PDCD1CD274
SCHEMBL15934254 0.78 SMN1; SMN2 (0.63) SMN1; SMN2MAPK1GPR35MEN1KMT2A
SCHEMBL25616220 0.78 PDCD1 (0.41) SMN1; SMN2GPR35MAP2K1PDCD1CD274
SCHEMBL26090799 0.75 CYP11B2 (0.41) SMN1; SMN2MAP2K1MEN1KMT2ACTSA
SCHEMBL15932440 0.74 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1GPR35MEN1KMT2A
SCHEMBL4178450 0.74 CA12 (0.47) SMN1; SMN2MAPK1MAP2K1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670166-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-06 US disclosed
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-11-24 US disclosed
US-9290459-B1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 US disclosed
US-20160060231-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-03-03 US disclosed
US-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-03-03 US disclosed
US-20140221335-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 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 (4 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-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO SMN1; SMN2 2865/4885MAPK1 1402/4885GPR35 3100/4885
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO SMN1; SMN2 2865/4885MAPK1 1402/4885GPR35 3100/4885
US-20140221335-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO SMN1; SMN2 2865/4885MAPK1 1402/4885GPR35 3100/4885
US-20160060231-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO SMN1; SMN2 2865/4885MAPK1 1402/4885GPR35 3100/4885

“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.