SCHEMBL13857985

SCHEMBL13857985

O=C(O)c1cc(Br)c2cccc(F)c2n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
GRM2 Q14416 1/20 0.47
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 2/20 0.40
TSHR P16473 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IGFBP3 P17936 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR35 Q9HC97 1/20 0.36
MCL1 Q07820 2/20 0.36
KMO O15229 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
SCHEMBL13977964 0.83 AURKA (0.59) AURKAGRM2KDM4EKMT2AALOX15
SCHEMBL3333164 0.83 GRM2 (0.48) AURKAGRM2KDM4EKMT2AALOX15
SCHEMBL2222480 0.82 ADORA2A (0.47) AURKAGRM2KDM4EKMT2AADORA2A
SCHEMBL8114876 0.81 GPR35 (0.54) AURKAGRM2KDM4EKMT2AALOX15
SCHEMBL30744879 0.81 KDM4E (0.51) AURKAGRM2KDM4EKMT2AALOX15
SCHEMBL30421043 0.78 ALOX15 (0.62) AURKAGRM2KDM4EALOX15IGFBP3
SCHEMBL30744928 0.77 GRM2 (0.43) AURKAGRM2KDM4EALOX15IGFBP3
SCHEMBL14919681 0.77 GRM2 (0.78) AURKAGRM2IGFBP3
SCHEMBL837668 0.75 ALOX15 (0.58) GRM2KDM4EKMT2AALOX15MEN1
SCHEMBL4751890 0.75 KDM4E (0.66) KDM4EKMT2AALOX15TSHRACMSD

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
EP-2709621-B1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
EP-2709621-B1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-8940765-B2 N-linked quinolineamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-01-27 US disclosed
US-8940765-B2 N-linked quinolineamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-01-27 US disclosed
US-8940765-B2 N-linked quinolineamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-01-27 US disclosed
US-20140200222-A1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2014-07-17 US disclosed
US-20140200222-A1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2014-07-17 US disclosed
EP-2709621-A1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2014-03-26 EP disclosed
WO-2012158474-A1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-11-22 WO disclosed
WO-2012158474-A1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-11-22 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 (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-20140200222-A1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 AURKA 2964/4885GRM2 95/4885KDM4E 1575/4885

“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.