SCHEMBL29664810

SCHEMBL29664810

NC(=O)c1ccccc1CNc1cncc(-c2ccc3[nH]c(=O)[nH]c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MKNK2 Q9HBH9 2/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.42
▸ CDK7 P50613 8/20 0.42
▸ AKT1 P31749 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ CDK2 P24941 5/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ CACNG8 Q8WXS5 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ GSK3B P49841 1/20 0.38

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
SCHEMBL29437817 0.84 MKNK2 (0.44) GAAMAPTMKNK2MKNK1KDM4E
SCHEMBL22191402 0.83 GAA (0.67) GAAMAPTCDK7AKT1KDM4E
SCHEMBL22191473 0.83 GAA (0.53) GAAMAPTAKT1KDM4EPDE3B
SCHEMBL22191669 0.82 DYRK1A (0.46) GAAMAPTMKNK2MKNK1CDK7
SCHEMBL22191848 0.82 DYRK1A (0.49) GAAMKNK2MKNK1CDK7KDM4E
SCHEMBL22191227 0.81 PDE3B (0.47) GAAMAPTMKNK2CDK7KDM4E
SCHEMBL22191663 0.81 GAA (0.46) GAAMAPTCDK7AKT1KDM4E
SCHEMBL22191691 0.79 PLK4 (0.48) GAAMAPTMKNK2CDK7AKT1
SCHEMBL22191371 0.77 PDE3B (0.57) GAAMAPTAKT1KDM4EPDE3B
SCHEMBL22191607 0.77 FYN (0.54) GAACDK7AKT1KDM4ECDK2

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 2 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

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 1320/4885MKNK2 173/4885

“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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