SCHEMBL1439912

SCHEMBL1439912

CC(CBr)c1ccnc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 4/20 0.50
▸ AXL P30530 1/20 0.46
▸ CIT O14578 5/20 0.44
▸ IKBKB O14920 2/20 0.41
▸ CHUK O15111 2/20 0.41
▸ PRKD3 O94806 2/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ PRKACA P17612 2/20 0.41
▸ CSNK1A1 P48729 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ PRKCQ Q04759 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ RET P07949 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ FGFR1 P11362 1/20 0.41

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
SCHEMBL23004035 0.85 PRKCI (0.47) PRKCIAXLCITIKBKBCHUK
SCHEMBL8688105 0.81 PRKCI (0.55) PRKCIAXLCITIKBKBCHUK
SCHEMBL84365 0.81 PRKCI (0.53) PRKCIAXLCITIKBKBCHUK
SCHEMBL31541422 0.78 PRKCI (0.55) PRKCIAXLCITIKBKBCHUK
SCHEMBL24492983 0.78 PRKCI (0.50) PRKCIAXLCITIKBKBCHUK
SCHEMBL31541439 0.78 PRKCI (0.50) PRKCIAXLCITIKBKBCHUK
SCHEMBL23021726 0.78 PRKCI (0.50) PRKCIAXLCITIKBKBCHUK
SCHEMBL8687438 0.78 CIT (0.59) PRKCIAXLCITIKBKBCHUK
SCHEMBL31541393 0.78 PRKCI (0.50) PRKCIAXLCITIKBKBCHUK
SCHEMBL4235555 0.78 PRKCI (0.41) PRKCIAXLCITIKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260418-B2 Pyranyl aryl methyl benzoquinolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2016-02-16 — — US disclosed
EP-2915812-A1 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators Merck Sharp & Dohme Corp. (US) 2015-09-09 — — EP disclosed
EP-2473048-B1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-03-25 — — EP disclosed
US-20140364395-A1 Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME (US) 2014-12-11 — — US disclosed
US-8846702-B2 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-09-30 — — US disclosed
EP-2473048-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-07-11 — — EP disclosed
US-20120157438-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP (US) 2012-06-21 — — US disclosed
WO-2011025851-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-03-03 — — 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 (2 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-20120157438-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, OPRL1 PRKCI 2513/4885AXL 1724/4885CIT 2902/4885
US-20140364395-A1 Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, CHRM2 PRKCI 2484/4885AXL 1560/4885CIT 3037/4885

“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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