SCHEMBL2543479

SCHEMBL2543479

CCOC(=O)/C=C/c1cc(OC)ncc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
FDPS P14324 1/20 0.44
MAOB P27338 1/20 0.43
TTR P02766 1/20 0.41
CCNC P24863 5/20 0.41
CDK8 P49336 5/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP3A4 P08684 1/20 0.39
ESR1 P03372 1/20 0.39
CDK19 Q9BWU1 1/20 0.38
CNKSR1 Q969H4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 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
SCHEMBL29602518 1.00 DPP4 (0.44) DPP4FDPSMAOBTTRCCNC
SCHEMBL18613637 0.86 KMT2A (0.43) FDPSTTRCCNCCDK8CA12
SCHEMBL18613639 0.86 KMT2A (0.43) FDPSTTRCCNCCDK8CA12
SCHEMBL29550737 0.84 DPP4 (0.48) DPP4FDPSMAOBTTRCCNC
SCHEMBL20439711 0.84 DPP4 (0.48) DPP4FDPSMAOBTTRCCNC
SCHEMBL15464600 0.82 DPP4 (0.45) DPP4FDPSMAOBTTRCCNC
SCHEMBL15464599 0.82 DPP4 (0.45) DPP4FDPSMAOBTTRCCNC
SCHEMBL3648457 0.82 CSNK2A2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL3648459 0.82 CSNK2A2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL23128180 0.82 FDPS (0.41) DPP4FDPSMAOBTTRCCNC

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
EP-3347356-B1 TRICYCLIC FUSED PYRIDIN-2-ONE DERIVATIVES AND THEIR USE AS BRD4 INHIBITORS JUBILANT BIOSYS LTD (IN) 2021-03-24 EP disclosed
WO-2017042834-A1 TRICYCLIC FUSED PYRIDIN-2-ONE DERIVATIVES AND THEIR USE AS BRD4 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2017-03-16 WO disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 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 (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-20110263658-A1 RENIN INHIBITORS REN, ACE, AGTR1 DPP4 13/4885FDPS 3105/4885MAOB 678/4885

“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.