SCHEMBL11947993

SCHEMBL11947993

COc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)c3cc5ccccc5[nH]3)C4)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.47
SCN9A Q15858 1/20 0.47
PYGL P06737 2/20 0.42
PYGM P11217 2/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SLC2A1 P11166 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
PDE5A O76074 1/20 0.39
PDE4A P27815 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE1C Q14123 1/20 0.39
CCR8 P51685 1/20 0.38

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
SCHEMBL3064831 0.93 SCN4A (0.40) SCN4ASCN9APYGLPYGMSLC2A1
SCHEMBL11948015 0.91 TP53 (0.41) SCN4ASCN9APYGLPYGM
SCHEMBL11948014 0.91 FLT3 (0.41) SCN4ASCN9APYGLPYGMDRD2
SCHEMBL11948018 0.91 SLC2A1 (0.44) PYGLPYGMSLC2A1
SCHEMBL11948017 0.90 SLC2A1 (0.38) SCN4ASCN9APYGLPYGMSLC2A1
SCHEMBL11948012 0.88 SLC2A1 (0.40) SLC2A1DRD2DRD3
SCHEMBL11947994 0.86 SLC2A1 (0.47) SLC2A1
SCHEMBL11947997 0.85 POLB (0.46) NPC1RAB9ADRD2CCR8
SCHEMBL11947995 0.84 NPC1 (0.40) SLC2A1NPC1RAB9ADRD2DRD3
SCHEMBL3075437 0.81 AURKA (0.40) MTNR1AMTNR1BSLC2A1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236087-B2 Highly active pyrazolo-piperidine substituted indole-2-carboxamides active against the hepatitis B virus (HBV) AICURIS GMBH & CO. KG (DE) 2022-02-01 US disclosed
US-20210179608-A1 NOVEL, HIGHLY ACTIVE PYRAZOLO-PIPERIDINE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2021-06-17 US disclosed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US disclosed
US-7842810-B2 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-amide JANSSEN PHARMACEUTICA, NV (BE) 2010-11-30 US disclosed
US-7842810-B2 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-amide JANSSEN PHARMACEUTICA, NV (BE) 2010-11-30 US disclosed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 US disclosed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 US disclosed
US-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 US disclosed
US-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 US disclosed
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 US disclosed
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 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-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 SCN4A 4488/4885SCN9A 3215/4885PYGL 1603/4885
US-20210179608-A1 NOVEL, HIGHLY ACTIVE PYRAZOLO-PIPERIDINE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) CDK2, HCCS, BRD4 SCN4A 3979/4885SCN9A 3892/4885PYGL 343/4885
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS PIR, BAK1, TMBIM6 SCN4A 4635/4885SCN9A 3830/4885PYGL 1896/4885
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 SCN4A 4488/4885SCN9A 3215/4885PYGL 1603/4885
US-11236087-B2 Highly active pyrazolo-piperidine substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, CDK2 SCN4A 4144/4885SCN9A 4127/4885PYGL 306/4885

“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.