SCHEMBL29925475

SCHEMBL29925475

C[C@H]1CNCCN1c1ccc(Nc2cc(Cl)nn(C)c2=O)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.46
▸ CDK4 P11802 4/20 0.41
▸ CCNA2 P20248 2/20 0.40
▸ CCND1 P24385 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CCND3 P30281 2/20 0.40
▸ CDK6 Q00534 2/20 0.40
▸ WEE1 P30291 3/20 0.39
▸ HTR2C P28335 2/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.36
▸ GSK3B P49841 3/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35

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
SCHEMBL14913056 1.00 BTK (0.46) BTKCDK4CCNA2CCND1CCNE1
SCHEMBL14913053 1.00 BTK (0.46) BTKCDK4CCNA2CCND1CCNE1
SCHEMBL10256584 0.84 CCND3 (0.48) CDK4CCNA2CCND1CCNE1CDK2
SCHEMBL14930391 0.83 CDK4 (0.42) BTKCDK4CCNA2CCND1CCNE1
SCHEMBL19947368 0.83 CDK4 (0.42) BTKCDK4CCNA2CCND1CCNE1
SCHEMBL31158061 0.83 CDK4 (0.42) BTKCDK4CCNA2CCND1CCNE1
Hydrochloric Acid SCHEMBL1393269 0.83 CDK2 (0.47) CDK4CCNA2CCND1CCNE1CDK2
SCHEMBL14912860 0.81 BTK (0.51) BTKCDK4CCNA2CCND1CCNE1
SCHEMBL14916485 0.81 BTK (0.51) BTKCDK4CCNA2CCND1CCNE1
SCHEMBL29741805 0.81 BTK (0.51) BTKCDK4CCNA2CCND1CCNE1

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
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 — — 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

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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885CDK4 170/4885CCNA2 1449/4885

“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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