SCHEMBL14907944

SCHEMBL14907944

CC(C)(C)OC(=O)NCCNc1nccc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
STK17B O94768 1/20 0.49
STK17A Q9UEE5 1/20 0.49
ADORA2A P29274 4/20 0.46
ADORA3 P0DMS8 3/20 0.46
LATS1 O95835 1/20 0.46
ADORA1 P30542 2/20 0.45
MALT1 Q9UDY8 1/20 0.45
BRD4 O60885 1/20 0.43
ATR Q13535 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
FGFR1 P11362 1/20 0.40

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
SCHEMBL14907974 0.92 STK17B (0.59) BCHESTK17BSTK17AADORA2AADORA1
SCHEMBL3909008 0.84 STK17B (0.55) BCHESTK17BSTK17AADORA2AADORA3
SCHEMBL867510 0.83 BCHE (0.52) BCHESTK17BSTK17AADORA2AADORA3
SCHEMBL17518970 0.80 ATR (0.53) ATR
SCHEMBL17563733 0.79 STK17B (0.51) BCHESTK17BSTK17AADORA2AADORA3
SCHEMBL3336071 0.79 HRH4 (0.60) BCHELATS1HRH4HRH3ALOX5AP
SCHEMBL17784772 0.79 BCHE (0.46) BCHESTK17BSTK17ALATS1MALT1
SCHEMBL17784777 0.78 STK17B (0.48) BCHESTK17BSTK17ALATS1MALT1
SCHEMBL13333049 0.78 STK17B (0.51) STK17BSTK17AADORA2AADORA1BRD4
SCHEMBL17564690 0.77 BCHE (0.47) BCHESTK17BSTK17AADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926333-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2018-03-27 US disclosed
US-20170327514-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US disclosed
US-9732093-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 US disclosed
US-20150368270-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-24 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20150252008-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-10 US disclosed
US-9073876-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-07 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140221310-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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 (5 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-20170327514-A1 FLAP MODULATORS FEN1, PGF, TBXA2R BCHE 1855/4885STK17B 3883/4885STK17A 3513/4885
US-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B BCHE 2559/4885STK17B 2393/4885STK17A 2807/4885
US-20140221310-A1 FLAP MODULATORS FEN1, PGF, PTGIS BCHE 2357/4885STK17B 3781/4885STK17A 3406/4885
US-20150368270-A1 FLAP MODULATORS FEN1, PGF, TBXA2R BCHE 1855/4885STK17B 3883/4885STK17A 3513/4885
US-20150252008-A1 FLAP MODULATORS FEN1, PGF, PTGIS BCHE 2357/4885STK17B 3781/4885STK17A 3406/4885

“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.