SCHEMBL617190

SCHEMBL617190

CC(C)(C)OC(=O)NNC1CCCOC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.49
GAA P10253 2/20 0.48
EPHX1 P07099 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CTSK P43235 2/20 0.37
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HCRTR2 O43614 1/20 0.33
KCNA3 P22001 1/20 0.33

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
SCHEMBL17525372 0.91 BTK (0.44) BTKGAAEPHX1CA1CA2
SCHEMBL11947774 0.91 BTK (0.44) BTKGAAEPHX1CA1CA2
SCHEMBL14853197 0.88 GAA (0.48) BTKGAAEPHX1CA1CA2
SCHEMBL2226229 0.86 BTK (0.56) BTKGAAEPHX1CA1CA2
SCHEMBL2226232 0.86 BTK (0.56) BTKGAAEPHX1CA1CA2
SCHEMBL12439636 0.86 BTK (0.56) BTKGAAEPHX1CA1CA2
SCHEMBL20583619 0.84 BTK (0.45) BTKGAAEPHX1CTSKKMT2A
SCHEMBL573789 0.82 GAA (0.61) BTKGAAEPHX1CA1CA2
SCHEMBL4492849 0.82 BTK (0.58) BTKGAAEPHX1CA1CA2
SCHEMBL21553267 0.81 BTK (0.55) BTKGAAEPHX1CA1CA2

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071549-B PDE1 inhibitors H.隆德贝克有限公司 2021-11-30 CN disclosed
CN-108513574-B N-sulfonylated pyrazolo [3, 4-b ] pyridine-6-carboxamides and methods of use 艾伯维公司 2021-01-05 CN disclosed
EP-3359541-B1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE OVERSEAS SARL (LU) 2020-08-05 EP disclosed
EP-3359541-B1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE OVERSEAS SARL (LU) 2020-08-05 EP disclosed
EP-3442975-B1 1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND 1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]PYRIDIN-4-ONES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2020-07-29 EP disclosed
EP-3442975-B1 1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND 1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]PYRIDIN-4-ONES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2020-07-29 EP disclosed
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use ABBVIE S.Á.R.L. (LU) 2020-05-12 US disclosed
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use ABBVIE S.Á.R.L. (LU) 2020-05-12 US disclosed
US-20200102316-A1 1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND 1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]PYRIDIN-4-ONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2020-04-02 US disclosed
US-10538525-B2 1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ones and 1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-ones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2020-01-21 US disclosed
EP-2421366-B1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
US-8486946-B2 Pyrazolo [4,3-c] cinnolin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-20130143907-A1 PYRAZOLOQUINOLINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-06-06 US disclosed
US-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-25 US disclosed
WO-2013051639-A1 PYRAZOLOQUINOLINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2013-04-11 WO disclosed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US disclosed
EP-2398324-A1 PYRAZOLO [4,3-c]CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2011-12-28 EP disclosed
US-20110301167-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-12-08 US disclosed
WO-2010096338-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-08-26 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 (7 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-20200102316-A1 1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND 1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]PYRIDIN-4-ONES AS PDE1 INHIBITORS PDE4A, PDE4B, PDE12 BTK 3918/4885GAA 220/4885EPHX1 287/4885
US-20110301167-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, MTNR1A BTK 3993/4885GAA 3258/4885EPHX1 2993/4885
US-20130143907-A1 PYRAZOLOQUINOLINE DERIVATIVES PDE2A, PDE3A, PDE3B BTK 1629/4885GAA 2015/4885EPHX1 991/4885
US-10538525-B2 1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ones and 1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-ones as PDE1 inhibitors PDE4A, PDE4B, PDE12 BTK 3918/4885GAA 220/4885EPHX1 287/4885
US-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, MTNR1A BTK 3993/4885GAA 3258/4885EPHX1 2993/4885
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, CHRM3, P2RY1 BTK 788/4885GAA 3267/4885EPHX1 3223/4885
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators CHRM1, CNR1, CHRNA7 BTK 2756/4885GAA 2766/4885EPHX1 2717/4885

“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.