SCHEMBL17018114

SCHEMBL17018114

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.47
▸ CREBBP Q92793 4/20 0.42
▸ WDR5 P61964 3/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ IKBKE Q14164 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ LIPC P11150 3/20 0.40
▸ LIPG Q9Y5X9 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ WNT1 P04628 1/20 0.40

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 0.93 BRD4 (0.56) BRD4WDR5S1PR1IKBKETBK1
SCHEMBL17018106 0.91 BRD4 (0.51) BRD4WDR5S1PR1IKBKETBK1
SCHEMBL17018118 0.89 BRD4 (0.52) BRD4CREBBPIKBKETBK1PIK3CA
SCHEMBL17018117 0.88 BRD4 (0.51) BRD4IKBKETBK1LIPCLIPG
SCHEMBL17018269 0.87 BRD4 (0.47) BRD4LIPCLIPGPIK3CA
SCHEMBL17018266 0.86 BRD4 (0.49) BRD4LIPCLIPG
SCHEMBL17018259 0.86 BRD4 (0.49) BRD4GSK3BDYRK1AWNT1
SCHEMBL17018261 0.86 BRD4 (0.49) BRD4CREBBP
SCHEMBL23734005 0.86 LIPC (0.42) BRD4WDR5S1PR1IKBKETBK1
SCHEMBL17018112 0.85 BRD4 (0.55) BRD4CREBBPLIPCLIPG

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 1/4885CREBBP 28/4885WDR5 152/4885
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885CREBBP 28/4885WDR5 152/4885
US-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885CREBBP 28/4885WDR5 152/4885
US-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885CREBBP 28/4885WDR5 152/4885
US-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885CREBBP 28/4885WDR5 152/4885
US-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885CREBBP 28/4885WDR5 152/4885
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885CREBBP 28/4885WDR5 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.

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