SCHEMBL19022580

SCHEMBL19022580

COc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3c2nc3c(cc2C)C(=O)NC3)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 6/20 0.52
▸ PIK3CA P42336 6/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ CSF1R P07333 1/20 0.36
▸ NAAA Q02083 1/20 0.35
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ MTOR P42345 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34

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
SCHEMBL19023207 1.00 CHRM4 (0.52) CHRM4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL19022583 1.00 CHRM4 (0.52) CHRM4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL19023383 0.86 CHRM4 (0.70) CHRM4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL19046580 0.83 CHRM4 (0.44) CHRM4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL19022784 0.81 CHRM4 (0.64) CHRM4PIK3CAPIK3CDPIK3CB
SCHEMBL19022850 0.81 CHRM4 (0.64) CHRM4PIK3CAPIK3CDPIK3CB
SCHEMBL19022786 0.81 CHRM4 (0.64) CHRM4PIK3CAPIK3CDPIK3CB
SCHEMBL19037441 0.80 CHRM4 (0.49) CHRM4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL19022921 0.80 CHRM4 (0.49) CHRM4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL19022731 0.79 CHRM4 (0.64) CHRM4PIK3CAPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394061-B1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (US) 2020-03-11 — — EP claimed
US-10329289-B2 6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2019-06-25 — — US claimed
EP-3394061-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2018-10-31 — — EP claimed
WO-2017112719-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — WO claimed
US-20170183342-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC 2017-06-29 — — US claimed
EP-3394061-B1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (US) 2020-03-11 — — EP disclosed
US-10351564-B2 6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor Merck Sharop & Dohme, Corp. (US) 2019-07-16 — — US disclosed
US-10329289-B2 6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2019-06-25 — — US disclosed
US-20170183342-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC 2017-06-29 — — 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 (3 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-20170183342-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM5, CHRM4, CHRM1 CHRM4 2/4885PIK3CA 1421/4885PIK3CD 1135/4885
US-10329289-B2 6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM1 CHRM4 2/4885PIK3CA 1421/4885PIK3CD 1135/4885
US-10351564-B2 6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM1 CHRM4 2/4885PIK3CA 1421/4885PIK3CD 1135/4885

“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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