SCHEMBL29437808

SCHEMBL29437808

O=c1[nH]c2ccc(-c3cnc(NCc4ccccc4)nc3)cc2n1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.48
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ VCP P55072 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ MAT2A P31153 1/20 0.38
▸ CDC7 O00311 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ KCNMA1 Q12791 1/20 0.37

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
SCHEMBL22191186 1.00 PGR (0.48) PGRMEN1LMNAKMT2AL3MBTL1
SCHEMBL22190915 0.95 PGR (0.44) PGRMEN1LMNAKMT2AL3MBTL1
SCHEMBL22191616 0.92 GRIN1 (0.42) PGRMEN1LMNAKMT2AVNN1
SCHEMBL22191466 0.87 PGR (0.40) PGRBRD4VNN1VCPPLK1
SCHEMBL22191015 0.85 PGR (0.50) PGRLMNAL3MBTL1BRD4PLK1
SCHEMBL22191084 0.84 PGR (0.55) PGRMEN1LMNAKMT2ABRD4
SCHEMBL22191544 0.84 PGR (0.46) PGRMEN1LMNAKMT2AL3MBTL1
SCHEMBL22190880 0.83 PGR (0.56) PGRBRD4
SCHEMBL22191504 0.82 PGR (0.54) PGR
SCHEMBL22190816 0.82 PGR (0.48) PGR

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 PGR 1927/4885MEN1 1767/4885LMNA 1712/4885

“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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