SCHEMBL17018099

SCHEMBL17018099

CC(=O)N1c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2N(C(=O)OC(C)C)C[C@@H]1C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.56
▸ S1PR1 P21453 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ LIPC P11150 3/20 0.39
▸ LIPG Q9Y5X9 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ WNT1 P04628 1/20 0.39
▸ WDR5 P61964 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PLK1 P53350 1/20 0.39

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
SCHEMBL17018114 0.93 BRD4 (0.47) BRD4S1PR1PIK3CALIPCLIPG
SCHEMBL17018106 0.92 BRD4 (0.51) BRD4S1PR1PIK3CALIPCLIPG
SCHEMBL17018267 0.89 BRD4 (0.55) BRD4GSK3BDYRK1AWNT1
SCHEMBL16722043 0.88 BRD4 (0.61) BRD4PIK3CA
SCHEMBL16722042 0.88 BRD4 (0.61) BRD4PIK3CA
SCHEMBL16722632 0.88 BRD4 (0.54) BRD4PIK3CALIPCLIPGFGFR1
SCHEMBL17018272 0.88 BRD4 (0.61) BRD4
SCHEMBL17018232 0.87 BRD4 (0.56) BRD4PIK3CA
SCHEMBL16721937 0.87 BRD4 (0.60) BRD4LIPCLIPGIKBKETBK1
SCHEMBL16721761 0.87 BRD4 (0.60) BRD4PIK3CA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2021-08-10 — — US disclosed
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2020-07-07 — — US disclosed
US-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2019-10-31 — — US disclosed
US-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-13 — — US disclosed
US-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 — — US disclosed
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 — — US disclosed
US-9422281-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2016-08-23 — — US disclosed
US-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2015-08-20 — — 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 (7 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-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885S1PR1 1838/4885PIK3CA 2810/4885
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885S1PR1 1838/4885PIK3CA 2810/4885
US-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885S1PR1 1838/4885PIK3CA 2810/4885
US-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885S1PR1 1838/4885PIK3CA 2810/4885
US-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885S1PR1 1838/4885PIK3CA 2810/4885
US-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885S1PR1 1838/4885PIK3CA 2810/4885
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885S1PR1 1838/4885PIK3CA 2810/4885

“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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