SCHEMBL22190817

SCHEMBL22190817

O=c1[nH]c2ccc(-c3cnc(NCc4ccccc4Cl)nc3)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ GRIA1 P42261 6/20 0.49
▸ CACNG8 Q8WXS5 6/20 0.49
▸ HDAC3 O15379 2/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ DYRK1A Q13627 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ GPR84 Q9NQS5 1/20 0.43
▸ VNN1 O95497 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PLK4 O00444 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42

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
SCHEMBL22190920 0.86 GAA (0.64) GAAMEN1KMT2AL3MBTL1DYRK1A
SCHEMBL22191264 0.84 DYRK1A (0.48) GAAMEN1KMT2AHDAC3HDAC1
SCHEMBL29437806 0.84 DYRK1A (0.48) GAAMEN1KMT2AHDAC3HDAC1
SCHEMBL22191095 0.84 PLK4 (0.50) GAAKMT2AGRIA1CACNG8HDAC3
SCHEMBL22191473 0.83 GAA (0.53) GAAMEN1KMT2AL3MBTL1GRIA1
SCHEMBL29437817 0.82 MKNK2 (0.44) GAAMEN1KMT2AL3MBTL1GRIA1
SCHEMBL28644765 0.81 PLK4 (0.55) GAAMEN1KMT2AGRIA1CACNG8
SCHEMBL22191481 0.81 VNN1 (0.48) GAAMEN1KMT2AL3MBTL1GRIA1
SCHEMBL22190922 0.81 HDAC3 (0.52) GAAGRIA1CACNG8HDAC3HDAC1
SCHEMBL22190872 0.81 AURKB (0.55) KMT2AGRIA1CACNG8HDAC3HDAC1

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
US-20220064146-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 2022-03-03 — — US disclosed
EP-3906028-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
CN-113543783-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-22 — — CN disclosed
WO-2020142486-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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 GAA 1058/4885MEN1 1767/4885KMT2A 1752/4885

“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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