SCHEMBL17018106

SCHEMBL17018106

CC(C)OC(=O)N1C[C@H](C)N(C(=O)C2CC2)c2ccc(-c3cnn(CCN4CCOCC4)c3)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.51
▸ S1PR1 P21453 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ LIPC P11150 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ LIPG Q9Y5X9 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ WDR5 P61964 2/20 0.38
▸ WNT1 P04628 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
SCHEMBL17018099 0.92 BRD4 (0.56) BRD4S1PR1PIK3CALIPCCYP3A4
SCHEMBL17018114 0.91 BRD4 (0.47) BRD4S1PR1PIK3CALIPCLIPG
SCHEMBL16722207 0.89 BRD4 (0.52) BRD4PIK3CALIPCLIPGIKBKE
SCHEMBL17018109 0.89 BRD4 (0.55) BRD4PIK3CA
SCHEMBL17018243 0.88 BRD4 (0.51) BRD4PIK3CATBK1
SCHEMBL17018108 0.87 BRD4 (0.54) BRD4LIPCLIPGIKBKETBK1
SCHEMBL21249915 0.87 BRD4 (0.57) BRD4GSK3BDYRK1AWNT1
SCHEMBL23734005 0.87 LIPC (0.42) BRD4S1PR1PIK3CALIPCCYP3A4
SCHEMBL17018264 0.86 BRD4 (0.53) BRD4
SCHEMBL17018253 0.86 BRD4 (0.53) BRD4GSK3BDYRK1A

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
EP-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 — — EP claimed
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 (6 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-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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