SCHEMBL29741795

SCHEMBL29741795

Cn1cc(Br)cc(Nc2ccc(N3CCN(CCO)CC3)cn2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.46
▸ CDK4 P11802 2/20 0.45
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCNA1 P78396 1/20 0.43

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
SCHEMBL14912436 1.00 BTK (0.46) BTKCDK4CDK1CCNB1CCNA2
SCHEMBL14925821 0.91 BTK (0.44) BTK
SCHEMBL1392917 0.90 BTK (0.49) BTK
SCHEMBL1392842 0.90 BTK (0.49) BTKCDK4CCNA2CDK2
SCHEMBL29742060 0.87 CDK4 (0.47) BTKCDK4CCND1CDK2
SCHEMBL14912015 0.87 CDK4 (0.47) BTKCDK4CCND1CDK2
SCHEMBL708026 0.87 BTK (0.52) BTKCDK4CCND1
SCHEMBL14926244 0.85 BTK (0.44) BTKCDK4CCNA2CCND1CDK2
SCHEMBL1393847 0.85 BTK (0.47) BTK
SCHEMBL1393002 0.84 BTK (0.44) BTKCDK4CCND1CDK2

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 BTK 2/4885CDK4 170/4885CDK1 151/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885CDK4 170/4885CDK1 151/4885

“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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