SCHEMBL29741802

SCHEMBL29741802

CN1CC(Oc2ccc(Nc3cc(Br)cn(C)c3=O)nc2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.47
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ HSF1 Q00613 1/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ ACACB O00763 4/20 0.35
▸ CCND1 P24385 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ PIK3CA P42336 5/20 0.34
▸ PRKDC P78527 4/20 0.34
▸ MTOR P42345 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL1726359 1.00 BTK (0.47) BTKCCNE1CDK2HSF1CSF1R
SCHEMBL14930421 0.92 BTK (0.41) BTKCCNE1CDK2HSF1CSF1R
SCHEMBL10255875 0.89 BTK (0.41) BTKCCNE1CDK2HSF1CSF1R
SCHEMBL10255885 0.89 BTK (0.41) BTKCCNE1CDK2HSF1CSF1R
SCHEMBL14912471 0.89 BTK (0.41) BTKCCNE1CDK2HSF1CSF1R
Hydrochloric Acid SCHEMBL14913480 0.88 BTK (0.40) BTKCCNE1CDK2HSF1CSF1R
SCHEMBL15870319 0.87 BTK (0.39) BTKCCNE1CDK2HSF1CSF1R
SCHEMBL10256055 0.85 PIK3CA (0.42) BTKPIK3CAPRKDCMTORPIK3CD
SCHEMBL30512276 0.85 PIK3CA (0.42) BTKPIK3CAPRKDCMTORPIK3CD
SCHEMBL1394712 0.84 BTK (0.45) BTKCCND1CDK6

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 2/4885CCNE1 1963/4885CDK2 152/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885CCNE1 1963/4885CDK2 152/4885

“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.

Send feedback