SCHEMBL29437806

SCHEMBL29437806

O=c1[nH]c2ccc(-c3cnc(NCc4cccc5ccccc45)nc3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.48
▸ PIK3CB P42338 5/20 0.47
▸ PIK3CA P42336 4/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ LYN P07948 1/20 0.40

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
SCHEMBL22191264 1.00 DYRK1A (0.48) DYRK1APIK3CBPIK3CACYP3A4CYP2C9
SCHEMBL22191387 0.89 MAPT (0.54) DYRK1APIK3CBPIK3CACYP3A4CYP2C9
SCHEMBL22190920 0.84 GAA (0.64) DYRK1ACYP2C9MAPTGAAMEN1
SCHEMBL22190817 0.84 GAA (0.54) DYRK1AHDAC3MAPTGAAMEN1
SCHEMBL22191663 0.84 GAA (0.46) DYRK1APIK3CBPIK3CACYP3A4CYP2C9
SCHEMBL22191275 0.83 GAA (0.48) DYRK1APIK3CBPIK3CACYP3A4CYP2C9
SCHEMBL22191095 0.82 PLK4 (0.50) DYRK1AHDAC3MAPTGAAKMT2A
SCHEMBL22191518 0.81 PDE3B (0.45) GAAMEN1KMT2APLK4CHEK1
SCHEMBL29664534 0.81 PIK3CB (0.46) DYRK1APIK3CBPIK3CACYP3A4CYP2C9
SCHEMBL29437817 0.80 MKNK2 (0.44) DYRK1AHDAC3MAPTGAAMEN1

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 1 patent. 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

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 DYRK1A 479/4885PIK3CB 311/4885PIK3CA 238/4885

“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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