SCHEMBL14912860

SCHEMBL14912860

CC1CNCCN1c1ccc(Nc2cc(Br)cn(C)c2=O)nc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.51
▸ CDK4 P11802 3/20 0.41
▸ CCNA2 P20248 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ CDK6 Q00534 1/20 0.38

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
SCHEMBL29731764 1.00 BTK (0.51) BTKCDK4CCNA2CCND1CCNE1
SCHEMBL29741805 1.00 BTK (0.51) BTKCDK4CCNA2CCND1CCNE1
SCHEMBL14916485 1.00 BTK (0.51) BTKCDK4CCNA2CCND1CCNE1
SCHEMBL29741961 1.00 BTK (0.51) BTKCDK4CCNA2CCND1CCNE1
SCHEMBL14915756 1.00 BTK (0.51) BTKCDK4CCNA2CCND1CCNE1
Hydrochloric Acid SCHEMBL30448465 0.99 BTK (0.51) BTKCDK4CCNA2CCND1CCNE1
SCHEMBL29731766 0.94 BTK (0.46) BTKCDK4CCNA2CCND1CCNE1
SCHEMBL14916289 0.88 BTK (0.43) BTKCDK4CCNA2CCND1CDK2
SCHEMBL14916288 0.88 BTK (0.43) BTKCDK4CCNA2CCND1CDK2
SCHEMBL29742041 0.88 BTK (0.43) BTKCDK4CCNA2CCND1CDK2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240058457-A1 BTK DEGRADER NEWAVE PHARMACEUTICAL INC. (US) 2024-02-22 — — 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
EP-3521288-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2021-09-08 — — EP disclosed
US-20210079002-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2021-03-18 — — US disclosed
US-RE48239-E1 Heteroaryl pyridone and aza-pyridone compounds GENETECH, INC. (US) 2020-10-06 — — US disclosed
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2020-02-27 — — US disclosed
CN-107011348-B Heteroaryl pyridone and aza-pyridone compounds as inhibitors of BTK activity 霍夫曼-拉罗奇有限公司 2020-01-10 — — CN disclosed
EP-3521288-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2019-08-07 — — EP disclosed
US-8729072-B2 Alkylated piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2014-05-20 — — US disclosed
US-20140128401-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2014-05-08 — — US disclosed
US-8716274-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-05-06 — — US disclosed
US-8669251-B2 8-fluorophthalazin-1(2H)-one compounds GENENTECH, INC. (US) 2014-03-11 — — US disclosed
WO-2013067264-A1 8-FLUOROPHTHALAZIN-1 (2H) - ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 — — WO disclosed
WO-2013067274-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 — — WO disclosed
WO-2013067277-A1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 — — WO disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 — — US disclosed
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 — — US disclosed
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 — — 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 (8 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-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK BTK 1/4885CDK4 644/4885CCNA2 1215/4885
US-20240058457-A1 BTK DEGRADER BTK, LYN, SYK BTK 1/4885CDK4 426/4885CCNA2 1050/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK BTK 1/4885CDK4 747/4885CCNA2 1579/4885
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885CDK4 170/4885CCNA2 1449/4885
US-20140128401-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK BTK 1/4885CDK4 618/4885CCNA2 1776/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885CDK4 170/4885CCNA2 1449/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 BTK 1/4885CDK4 170/4885CCNA2 905/4885
US-20210079002-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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