SCHEMBL16722232

SCHEMBL16722232

C[C@@H](CO)Nc1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CDK1 P06493 4/20 0.39
KDR P35968 4/20 0.39
CA2 P00918 3/20 0.39
CDK2 P24941 3/20 0.39
CDK4 P11802 2/20 0.39
CDK7 P50613 2/20 0.39
CDK9 P50750 2/20 0.39
CCNT1 O60563 1/20 0.39
CCND1 P24385 1/20 0.39
CCNH P51946 1/20 0.39
CCNB1 P14635 2/20 0.38
CCNE1 P24864 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 4/20 0.36
HCAR3 P49019 1/20 0.35

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
SCHEMBL16722235 1.00 ALDH1A1 (0.47) ALDH1A1CDK1KDRCA2CDK2
SCHEMBL789794 0.84 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL31717388 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7185895 0.81 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7190772 0.81 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19CYP3A4L3MBTL1
SCHEMBL18172316 0.78 MAPT (0.52) ALDH1A1CYP1A2CYP2C19CYP3A4L3MBTL1
SCHEMBL20061677 0.78 MAPT (0.52) ALDH1A1CYP1A2CYP2C19CYP3A4L3MBTL1
SCHEMBL17018042 0.77 KDR (0.40) ALDH1A1CDK1KDRCA2CDK2
SCHEMBL16722399 0.77 HCAR3 (0.44) ALDH1A1CDK1KDRCA2CDK2
SCHEMBL16722397 0.77 HCAR3 (0.44) ALDH1A1CDK1KDRCA2CDK2

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 20 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
WO-2020198053-A1 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-01 WO 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-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-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-20160256458-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
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 ALDH1A1 4041/4885CDK1 812/4885KDR 3860/4885
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 ALDH1A1 4041/4885CDK1 812/4885KDR 3860/4885
US-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 ALDH1A1 4041/4885CDK1 812/4885KDR 3860/4885
US-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 ALDH1A1 4041/4885CDK1 812/4885KDR 3860/4885
US-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 ALDH1A1 4041/4885CDK1 812/4885KDR 3860/4885
US-20180312524-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 ALDH1A1 4041/4885CDK1 812/4885KDR 3860/4885
US-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 ALDH1A1 4041/4885CDK1 812/4885KDR 3860/4885
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 ALDH1A1 4041/4885CDK1 812/4885KDR 3860/4885

“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.