SCHEMBL22190922

SCHEMBL22190922

O=c1[nH]c2ccc(-c3cnc(NCc4cccc(Cl)c4)nc3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ DYRK1A Q13627 1/20 0.48
▸ GRIA1 P42261 2/20 0.46
▸ CACNG8 Q8WXS5 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ VNN1 O95497 3/20 0.46
▸ GRM4 Q14833 1/20 0.46
▸ EGFR P00533 2/20 0.45
▸ IGF1R P08069 2/20 0.45
▸ BRD4 O60885 1/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.43
▸ RPS6KB1 P23443 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
SCHEMBL22191321 0.87 DYRK1A (0.48) DYRK1AGAAMAPTEGFRGPR84
SCHEMBL22191481 0.86 VNN1 (0.48) HDAC3HDAC1HDAC2HDAC6DYRK1A
SCHEMBL22191095 0.86 PLK4 (0.50) HDAC3HDAC1HDAC2HDAC6DYRK1A
SCHEMBL22191091 0.86 GAA (0.42) HDAC3HDAC1HDAC2HDAC6GRIA1
SCHEMBL22191683 0.83 GAA (0.49) GAAMAPTVNN1EGFRIGF1R
SCHEMBL22191048 0.83 VNN1 (0.55) DYRK1AVNN1
SCHEMBL22191602 0.83 GAA (0.48) DYRK1AGRIA1CACNG8GAAMAPT
SCHEMBL22191468 0.82 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6GRIA1
SCHEMBL22190941 0.82 HDAC1 (0.49) HDAC3HDAC1HDAC2HDAC6DYRK1A
SCHEMBL28644765 0.81 PLK4 (0.55) HDAC3HDAC1HDAC2HDAC6GRIA1

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 HDAC3 831/4885HDAC1 739/4885HDAC2 1246/4885

“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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