SCHEMBL22191233

SCHEMBL22191233

Cn1c(=O)[nH]c2ccc(-c3cc(NCc4ccccc4)c[n+]([O-])c3)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.46
▸ MAOB P27338 2/20 0.43
▸ DYRK1A Q13627 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ PDE3A Q14432 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TP53 P04637 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL22191556 0.84 GAA (0.44) PDE3AMAPTGAA
SCHEMBL22191202 0.81 MAOB (0.47) PGRMAOBDYRK1ALMNABRD4
SCHEMBL22191015 0.78 PGR (0.50) PGRMAOBDYRK1ALMNABRD4
SCHEMBL22191654 0.74 DYRK1A (0.45) PGRMAOBDYRK1ALMNAMAPT
SCHEMBL30593440 0.71 DYRK1A (0.59) PGRMAOBDYRK1ALMNABRD4
SCHEMBL21156830 0.71 DYRK1A (0.59) PGRMAOBDYRK1ALMNABRD4
SCHEMBL22191707 0.70 PGR (0.52) PGRMAOBLMNABRD4SMN1; SMN2
SCHEMBL22191163 0.70 DYRK1A (0.47) PGRMAOBDYRK1ALMNATP53
SCHEMBL22191137 0.69 PGR (0.50) PGRMAOB
SCHEMBL22191544 0.68 PGR (0.46) PGRDYRK1ALMNABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906233-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-31 — — EP disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 — — US disclosed
EP-3906233-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
WO-2020142485-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-07-09 — — 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 (1 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-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 PGR 2255/4885MAOB 1417/4885DYRK1A 481/4885

“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.

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