SCHEMBL22191663

SCHEMBL22191663

O=c1[nH]c2ccc(-c3cncc(NCc4cccc5ccccc45)c3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ PIK3CA P42336 3/20 0.45
▸ PIK3CB P42338 3/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GRIA1 P42261 1/20 0.40
▸ CACNG8 Q8WXS5 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CDK7 P50613 2/20 0.39

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
SCHEMBL22191402 0.85 GAA (0.67) GAAMAPTDYRK1AAKT1CYP2C9
SCHEMBL22191473 0.85 GAA (0.53) GAAMAPTDYRK1AAKT1KDM4E
SCHEMBL29437806 0.84 DYRK1A (0.48) GAAMAPTDYRK1APIK3CAPIK3CB
SCHEMBL22191264 0.84 DYRK1A (0.48) GAAMAPTDYRK1APIK3CAPIK3CB
SCHEMBL22191227 0.83 PDE3B (0.47) GAAMAPTPIK3CAKDM4EPDE3B
SCHEMBL22191426 0.83 GABRA1 (0.43) GAAMAPTAKT1KDM4EPDE3B
SCHEMBL22191275 0.82 GAA (0.48) GAAMAPTDYRK1APIK3CAPIK3CB
SCHEMBL22191387 0.82 MAPT (0.54) GAAMAPTDYRK1APIK3CAPIK3CB
SCHEMBL29664810 0.81 GAA (0.45) GAAMAPTAKT1KDM4EPDE3B
SCHEMBL22191691 0.81 PLK4 (0.48) GAAMAPTPIK3CAAKT1KDM4E

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 6 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
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
CN-113508111-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-15 — — CN 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 GAA 829/4885MAPT 1320/4885DYRK1A 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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