SCHEMBL19252907

SCHEMBL19252907

CC(C)(C)OC(=O)N1CCN(Cc2coc3cc(N)ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
NR1H2 P55055 1/20 0.45
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
LTA4H P09960 3/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL19252864 0.92 VEGFA (0.46) KDM1ACA12CA1CA2CA4
SCHEMBL19252873 0.87 CA12 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL19252885 0.81 VEGFA (0.46) CA12CA1CA2CA4CA5A
SCHEMBL4291723 0.80 NR1H2 (0.50) CA12CA1CA2CA4CA5A
SCHEMBL4296908 0.80 NR1H2 (0.50) KDM1ACA12CA1CA2CA4
SCHEMBL22172319 0.79 ALDH1A1 (0.54) KDM1ACA12CA1CA2CA4
SCHEMBL4298566 0.79 VEGFA (0.52) KDM1ACA12CA1CA2CA4
SCHEMBL19386572 0.79 NR1H2 (0.45) KDM1ACA12CA1CA2CA4
SCHEMBL13333662 0.78 VEGFA (0.48) KDM1ACA12CA1CA2CA4
SCHEMBL545916 0.77 NR1H2 (0.62) NR1H2VEGFAEGLN1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620950-A Carboxamide derivatives useful as RSK inhibitors 凤凰分子设计公司 2021-11-09 CN disclosed
CN-109071542-B Carboxamide derivatives useful as RSK inhibitors 凤凰分子设计公司 2021-07-20 CN disclosed
EP-3848373-A1 N-(1-((HETEROCYCLYL)METHYL)-1H-PYRAZOL-4-YL)-6-OXO-6,7,8,9- TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[L,2-A]PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS P90 RIBOSOMAL S6 KINASE (RSK) INHIBITORS FOR TREATING CANCER Phoenix Molecular Designs (CA) 2021-07-14 EP disclosed
US-20210186961-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2021-06-24 US disclosed
US-20210186961-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2021-06-24 US disclosed
EP-3416964-B1 6-OXO-N-(1-(BENZYL)-1H-PYRAZOL-4-YL)-6,7,8,9- TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-A]PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS P90 RIBOSOMAL S6 KINASE (RSK) INHIBITORS FOR TREATING CANCER PHOENIX MOLECULAR DESIGNS (CA) 2020-12-16 EP disclosed
EP-3416964-B1 6-OXO-N-(1-(BENZYL)-1H-PYRAZOL-4-YL)-6,7,8,9- TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-A]PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS P90 RIBOSOMAL S6 KINASE (RSK) INHIBITORS FOR TREATING CANCER PHOENIX MOLECULAR DESIGNS (CA) 2020-12-16 EP disclosed
US-10758530-B2 Carboxamide derivatives useful as rsk inhibitors PHOENIX MOLECULAR DESIGNS (CA) 2020-09-01 US disclosed
US-20190134029-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2019-05-09 US disclosed
EP-3416964-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS Phoenix Molecular Designs (CA) 2018-12-26 EP disclosed
US-10081632-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-α]pyrazine-2-carboxamides as RSK inhibitors PHOENIX MOLECULAR DESIGNS (CA) 2018-09-25 US disclosed
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-11-16 US disclosed
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-11-16 US disclosed
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-11-16 US disclosed
US-9771366-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-a]pyrazine-2-carboxamides as RSK inhibitors PHOENIX MOLECULAR DESIGN (CA) 2017-09-26 US disclosed
WO-2017141116-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 WO disclosed
WO-2017141116-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 WO disclosed
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 US disclosed
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 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 (6 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-20190134029-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA5, RPS6KA2, RPS6KA1 KDM1A 1650/4885CA12 4703/4885CA1 4332/4885
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA5, RPS6KA2, RPS6KA1 KDM1A 2437/4885CA12 4866/4885CA1 4759/4885
US-10081632-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-α]pyrazine-2-carboxamides as RSK inhibitors RPS6KA2, RPS6KA5, RPS6KA1 KDM1A 2054/4885CA12 4831/4885CA1 4816/4885
US-10758530-B2 Carboxamide derivatives useful as rsk inhibitors RPS6KA5, RPS6KA2, RPS6KA1 KDM1A 1650/4885CA12 4703/4885CA1 4332/4885
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 KDM1A 1835/4885CA12 4792/4885CA1 4668/4885
US-20210186961-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 KDM1A 1835/4885CA12 4792/4885CA1 4668/4885

“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.