SCHEMBL19252862

SCHEMBL19252862

O=C(O)Nc1ccccc1Cn1cc([N+](=O)[O-])cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HIF1A Q16665 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 2/20 0.47
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
ELANE P08246 1/20 0.46

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
SCHEMBL19252865 1.00 GAA (0.56) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL19268464 0.83 SLC29A1 (0.51) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL19252961 0.80 ALDH1A1 (0.56) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL19252914 0.78 MEN1 (0.74) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL21523647 0.77 ALDH1A1 (0.47) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL21523602 0.77 ALDH1A1 (0.58) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL19252912 0.76 LMNA (0.60) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL19252911 0.76 LMNA (0.60) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL2360147 0.76 ALDH1A1 (0.60) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL28262834 0.76 ALDH1A1 (0.46) GAAALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-109071542-A CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS 凤凰分子设计公司 2018-12-21 CN 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-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
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 GAA 3261/4885ALDH1A1 3909/4885LMNA 2202/4885
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA5, RPS6KA2, RPS6KA1 GAA 2886/4885ALDH1A1 4156/4885LMNA 3218/4885
US-10081632-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-α]pyrazine-2-carboxamides as RSK inhibitors RPS6KA2, RPS6KA5, RPS6KA1 GAA 3353/4885ALDH1A1 4116/4885LMNA 2793/4885
US-10758530-B2 Carboxamide derivatives useful as rsk inhibitors RPS6KA5, RPS6KA2, RPS6KA1 GAA 3261/4885ALDH1A1 3909/4885LMNA 2202/4885
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 GAA 2412/4885ALDH1A1 3953/4885LMNA 1949/4885
US-20210186961-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 GAA 2412/4885ALDH1A1 3953/4885LMNA 1949/4885

“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.