SCHEMBL14925180

SCHEMBL14925180

COC(=O)c1cc(Br)c2cccnc2c1/C=C/N(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAP2K1 Q02750 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PSMD14 O00487 1/20 0.39
▸ SLC40A1 Q9NP59 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL19358749 0.87 KDM4E (0.52) KDM4EKMT2AMEN1TDP1HTT
SCHEMBL19358751 0.87 KDM4E (0.52) KDM4EKMT2AMEN1TDP1HTT
SCHEMBL21902359 0.78 KDM4E (0.59) KDM4EKMT2AMEN1MAP2K1TDP1
SCHEMBL12072279 0.78 KDM4E (0.55) KDM4EKMT2AMEN1POLBMAP2K1
SCHEMBL19128191 0.77 KDM4E (0.53) KDM4EKMT2AMEN1POLBMAP2K1
SCHEMBL31056854 0.73 KDM4E (0.62) KDM4EKMT2AMEN1MAP2K1TDP1
SCHEMBL15054071 0.73 KDM4E (0.62) KDM4EKMT2AMEN1MAP2K1TDP1
SCHEMBL23233761 0.73 KDM4E (0.70) KDM4EKMT2AMEN1MAP2K1TDP1
SCHEMBL17596179 0.73 KDM4E (0.55) KDM4EKMT2AMEN1POLBMAP2K1
SCHEMBL21878514 0.73 KDM4E (0.55) KDM4EKMT2AMEN1POLBMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017160670-A1 M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2017-09-21 — — WO disclosed
US-8557992-B2 Heterocyclic fused phenanthrolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-8557992-B2 Heterocyclic fused phenanthrolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-20130116272-A1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-05-09 — — US disclosed
US-20130116272-A1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-05-09 — — 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-20130116272-A1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 KDM4E 1407/4885KMT2A 1549/4885MEN1 2078/4885

“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.

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