SCHEMBL16722397

SCHEMBL16722397

C[C@@H](CO)Nc1cnc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.44
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CDK1 P06493 3/20 0.35
KDR P35968 3/20 0.35
CA2 P00918 2/20 0.35
CDK4 P11802 2/20 0.35
CDK2 P24941 2/20 0.35
CDK7 P50613 2/20 0.35
CDK9 P50750 2/20 0.35
CCNT1 O60563 1/20 0.35
CCND1 P24385 1/20 0.35
CCNH P51946 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL16722399 1.00 HCAR3 (0.44) HCAR3ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL23780208 0.84 HCAR3 (0.49) HCAR3ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL16721694 0.79 HCAR3 (0.54) HCAR3ALDH1A1MAPTPKMKMT2A
SCHEMBL16721691 0.79 HCAR3 (0.54) HCAR3ALDH1A1MAPTPKMKMT2A
SCHEMBL15749103 0.78 HCAR3 (0.50) HCAR3ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL15749046 0.78 HCAR3 (0.50) HCAR3ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL19013400 0.78 HCAR3 (0.50) HCAR3ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL10891013 0.78 HCAR3 (0.44) HCAR3ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL16722235 0.77 ALDH1A1 (0.47) HCAR3ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL16722232 0.77 ALDH1A1 (0.47) HCAR3ALDH1A1MAPTL3MBTL1CYP1A2

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 21 patents — showing the first 20. 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
EP-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 EP 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-20180312524-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2018-11-01 US disclosed
EP-3071205-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS Forma Therapeutics, Inc. (US) 2016-09-28 EP disclosed
US-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 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-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-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
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
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 (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-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 HCAR3 1305/4885ALDH1A1 4041/4885MAPT 3623/4885
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 HCAR3 1305/4885ALDH1A1 4041/4885MAPT 3623/4885
US-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 HCAR3 1305/4885ALDH1A1 4041/4885MAPT 3623/4885
US-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 HCAR3 1305/4885ALDH1A1 4041/4885MAPT 3623/4885
US-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 HCAR3 1305/4885ALDH1A1 4041/4885MAPT 3623/4885
US-20180312524-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 HCAR3 1305/4885ALDH1A1 4041/4885MAPT 3623/4885
US-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 HCAR3 1305/4885ALDH1A1 4041/4885MAPT 3623/4885
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 HCAR3 1305/4885ALDH1A1 4041/4885MAPT 3623/4885

“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.