SCHEMBL19252931

SCHEMBL19252931

COC(=O)c1cc2ccc(Br)cc2n1CC#N

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
CCR9 P51686 1/20 0.43
KRAS P01116 1/20 0.41
MAPT P10636 2/20 0.41
USP30 Q70CQ3 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 1/20 0.37
NR4A2 P43354 1/20 0.36

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
SCHEMBL29507042 0.88 NOD2 (0.46) CCR9MAPTKMT2A
SCHEMBL5917422 0.88 NOD2 (0.46) CCR9MAPTKMT2A
SCHEMBL29262518 0.85 F10 (0.44) MTNR1AMTNR1BMAPTKMT2AL3MBTL1
SCHEMBL5622754 0.85 MTNR1A (0.61) PTGS2MTNR1AMTNR1BCCR9MAPT
SCHEMBL5917423 0.85 PTGS2 (0.46) PTGS2MTNR1AMTNR1BCCR9MAPT
SCHEMBL7837255 0.83 MTNR1A (0.58) MTNR1AMTNR1BMAPTKMT2A
SCHEMBL38652560 0.81 MTNR1A (0.50) PTGS2MTNR1AMTNR1BCCR9KRAS
SCHEMBL20839567 0.79 PTGS2 (0.47) PTGS2MTNR1AMTNR1BCCR9KRAS
SCHEMBL5622129 0.78 MAPT (0.46) PTGS2MTNR1AMTNR1BMAPTL3MBTL1
SCHEMBL3091481 0.78 NOD2 (0.46) PTGS2KRASMAPTKMT2A

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 21 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
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-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
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
WO-2017141116-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 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 (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 PTGS2 2607/4885MTNR1A 4318/4885MTNR1B 4636/4885
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA5, RPS6KA2, RPS6KA1 PTGS2 1487/4885MTNR1A 3894/4885MTNR1B 4214/4885
US-10081632-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-α]pyrazine-2-carboxamides as RSK inhibitors RPS6KA2, RPS6KA5, RPS6KA1 PTGS2 1647/4885MTNR1A 3707/4885MTNR1B 3598/4885
US-10758530-B2 Carboxamide derivatives useful as rsk inhibitors RPS6KA5, RPS6KA2, RPS6KA1 PTGS2 2607/4885MTNR1A 4318/4885MTNR1B 4636/4885
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 PTGS2 2785/4885MTNR1A 4247/4885MTNR1B 4550/4885
US-20210186961-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 PTGS2 2785/4885MTNR1A 4247/4885MTNR1B 4550/4885

“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.