SCHEMBL16722020

SCHEMBL16722020

CC(=O)N1c2ccccc2N(C(=O)c2ccc(-n3cccn3)cc2)C[C@@H]1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.52
ABCG2 Q9UNQ0 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
TP53 P04637 1/20 0.40
KCNH2 Q12809 1/20 0.40
AVPR2 P30518 3/20 0.40
OXTR P30559 2/20 0.40
AVPR1A P37288 2/20 0.40
HDAC4 P56524 1/20 0.40
NOTUM Q6P988 1/20 0.40
LMNA P02545 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 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
SCHEMBL16722347 0.81 BRD4 (0.60) BRD4NOTUMLMNA
SCHEMBL21675260 0.81 BRD4 (0.60) BRD4NOTUMLMNA
SCHEMBL16721973 0.81 BRD4 (0.66) BRD4NOTUM
SCHEMBL21675261 0.79 BRD4 (0.60) BRD4AVPR2OXTRAVPR1ANOTUM
SCHEMBL16721785 0.79 BRD4 (0.60) BRD4AVPR2AVPR1ANOTUM
SCHEMBL21675133 0.79 BRD4 (0.60) BRD4AVPR2AVPR1ANOTUM
SCHEMBL16721513 0.79 BRD4 (0.60) BRD4AVPR2OXTRAVPR1ANOTUM
SCHEMBL14130370 0.79 AVPR2 (0.43) ABCG2HRH3TP53KCNH2AVPR2
SCHEMBL28185332 0.77 HRH3 (0.49) ABCG2HRH3TP53KCNH2HDAC4
SCHEMBL14130354 0.77 GPR119 (0.48) ABCG2HRH3AVPR2OXTRAVPR1A

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 28 patents — showing the first 20. 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-20180312524-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2018-11-01 US claimed
EP-3071205-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS Forma Therapeutics, Inc. (US) 2016-09-28 EP claimed
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 US claimed
US-9422281-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2016-08-23 US claimed
US-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2015-08-20 US claimed
WO-2015074081-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BAIR KENNETH W (US) 2015-05-21 WO claimed
US-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2021-08-10 US disclosed
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-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2020-07-07 US disclosed
EP-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 EP disclosed
EP-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 EP disclosed
US-20160257699-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-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
US-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2015-08-20 US disclosed
WO-2015074081-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BAIR KENNETH W (US) 2015-05-21 WO 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 (5 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-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885ABCG2 2598/4885HRH3 632/4885
US-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885ABCG2 2598/4885HRH3 632/4885
US-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885ABCG2 2598/4885HRH3 632/4885
US-20180312524-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885ABCG2 2598/4885HRH3 632/4885
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885ABCG2 2598/4885HRH3 632/4885

“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.