SCHEMBL19252942

SCHEMBL19252942

CCOC(=O)c1cnn(Cc2cccc(NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GRM2 Q14416 1/20 0.43
KLKB1 P03952 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
MAPT P10636 3/20 0.42
CYP17A1 P05093 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
SCHEMBL19252949 0.88 SCD (0.55) SCDHDAC3HDAC8NCOR2MEN1
SCHEMBL19268461 0.85 SCD (0.53) SCDHDAC3HDAC8NCOR2MEN1
SCHEMBL19278178 0.81 SCD (0.52) SCDHDAC3HDAC8NCOR2MEN1
SCHEMBL19268462 0.79 ALDH1A1 (0.54) SCDHDAC3HDAC8NCOR2MEN1
SCHEMBL28867909 0.79 TSHR (0.70) SCDHDAC3HDAC8NCOR2MEN1
SCHEMBL28587535 0.79 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL30119622 0.79 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL1543828 0.78 RAB9A (0.67) HDAC3HDAC8MEN1KMT2ATSHR
SCHEMBL1546755 0.78 GRM2 (0.50) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL4767882 0.78 GRM2 (0.56) SCDKMT2ASMN1; SMN2HPGDGRM2

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 23 patents — showing the first 20. 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
US-10758530-B2 Carboxamide derivatives useful as rsk inhibitors PHOENIX MOLECULAR DESIGNS (CA) 2020-09-01 US 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
US-20190134029-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2019-05-09 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
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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 SCD 1098/4885HDAC3 279/4885HDAC8 494/4885
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA5, RPS6KA2, RPS6KA1 SCD 2284/4885HDAC3 815/4885HDAC8 1418/4885
US-10758530-B2 Carboxamide derivatives useful as rsk inhibitors RPS6KA5, RPS6KA2, RPS6KA1 SCD 1098/4885HDAC3 279/4885HDAC8 494/4885
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 SCD 857/4885HDAC3 356/4885HDAC8 569/4885
US-20210186961-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 SCD 857/4885HDAC3 356/4885HDAC8 569/4885

“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.