SCHEMBL29742006

SCHEMBL29742006

Cn1cc(Br)cc(Nc2ccc(N3CCNCC3)cn2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 12/20 0.48
▸ CCND1 P24385 12/20 0.48
▸ CCND2 P30279 7/20 0.48
▸ CCND3 P30281 7/20 0.48
▸ CDK2 P24941 5/20 0.48
▸ CCNA2 P20248 4/20 0.48
▸ CCNA1 P78396 2/20 0.48
▸ BTK Q06187 1/20 0.48
▸ MAP4K1 Q92918 5/20 0.47
▸ FGFR1 P11362 3/20 0.47
▸ FGFR2 P21802 3/20 0.47
▸ FGFR4 P22455 3/20 0.47
▸ FGFR3 P22607 3/20 0.47
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ CCNE1 P24864 1/20 0.44

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
SCHEMBL1393033 1.00 CDK4 (0.48) CDK4CCND1CCND2CCND3CDK2
SCHEMBL708026 0.89 BTK (0.52) CDK4CCND1CCND2CCND3BTK
SCHEMBL14926244 0.89 BTK (0.44) CDK4CCND1CCND2CCND3CDK2
SCHEMBL14915792 0.88 CDK4 (0.45) CDK4CCND1CCND2CCND3CDK2
SCHEMBL14915791 0.88 CDK4 (0.45) CDK4CCND1CCND2CCND3CDK2
SCHEMBL14915902 0.88 CDK4 (0.45) CDK4CCND1CCND2CCND3CDK2
SCHEMBL709576 0.87 BTK (0.48) CDK4CCND1CCND2CCND3BTK
SCHEMBL19442014 0.87 BTK (0.48) CDK4CCND1CCND2CCND3CDK2
SCHEMBL1393056 0.85 CDK4 (0.43) CDK4CCND1CCND2CCND3CDK2
SCHEMBL1394229 0.85 BTK (0.49) CDK4CCND1CCND2CCND3BTK

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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 — — US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 — — US disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 — — EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 — — EP 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 (2 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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 CDK4 170/4885CCND1 1971/4885CCND2 1616/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 CDK4 170/4885CCND1 1971/4885CCND2 1616/4885

“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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