SCHEMBL2144672

SCHEMBL2144672

CC1(C)C(=O)Nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.58
AKR1B1 P15121 2/20 0.56
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
CAPN9 O14815 1/20 0.46
CASP3 P42574 1/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
ALPL P05186 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
TDP2 O95551 1/20 0.43
GRIA1 P42261 1/20 0.42

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
SCHEMBL31419434 1.00 PGR (0.58) PGRAKR1B1PDK2PDK4CAPN9
SCHEMBL1841727 0.86 PGR (0.71) PGRAKR1B1PDK2PDK4CAPN9
SCHEMBL31251189 0.86 PGR (0.71) PGRAKR1B1PDK2PDK4CAPN9
SCHEMBL5803126 0.81 AKR1B1 (0.51) PGRAKR1B1CAPN9CASP3CYP3A4
SCHEMBL27690179 0.81 AKR1B1 (0.51) PGRAKR1B1CAPN9CASP3CYP3A4
SCHEMBL5823105 0.80 CYP3A4 (0.60) PGRAKR1B1CAPN9CASP3CYP3A4
SCHEMBL12237296 0.80 CAPN9 (0.55) PGRAKR1B1CAPN9CASP3CYP3A4
SCHEMBL30539489 0.80 CYP3A4 (0.60) PGRAKR1B1CAPN9CASP3CYP3A4
SCHEMBL2995430 0.78 AKR1B1 (0.48) PGRAKR1B1CAPN9CASP3CYP3A4
SCHEMBL2995428 0.78 AKR1B1 (0.48) PGRAKR1B1CAPN9CASP3CYP3A4

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4736854-A2 HETEROCYCLIC COMPOUNDS AS MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS Bristol-Myers Squibb Company (US) 2026-05-06 EP disclosed
EP-4514473-B1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL MYERS SQUIBB CO (US) 2026-02-18 EP disclosed
US-20250320183-A1 Modulators of BCL6 as Ligand Directed Degraders CELGENE CORPORATION (US) 2025-10-16 US disclosed
US-12404239-B2 Modulators of BCL6 as ligand directed degraders CELGENE CORPORATION (US) 2025-09-02 US disclosed
WO-2025059429-A1 MODULATORS OF BCL6 FOR USE IN A METHOD OF TREATING A CANCER OR AN AUTOIMMUNE DISEASE BRISTOL-MYERS SQUIBB COMPANY (US) 2025-03-20 WO disclosed
EP-4514473-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS Celgene Corporation (US) 2025-03-05 EP disclosed
US-12054488-B2 Pyrazolopyrimidine compound and preparation method therefor and use thereof in preparation of anti-cancer drug SUZHOU RAYMON PHARMACEUTICALS COMPANY, LTD. (CN) 2024-08-06 US disclosed
US-20240025851-A1 Modulators of BCL6 as Ligand Directed Degraders CELGENE CORPORATION (US) 2024-01-25 US disclosed
WO-2023212147-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS CELGENE CORPORATION (US) 2023-11-02 WO disclosed
CN-110950868-B Pyrazolopyrimidine compound, preparation method thereof and application of pyrazolopyrimidine compound in preparation of anti-cancer drugs 苏州锐明新药研发有限公司 2022-05-13 CN disclosed
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-03-30 US disclosed
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof EVOTEC AG (DE) 2005-12-15 US disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
WO-2005111040-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
EP-1598353-A1 Pyrrolobenzimidazolones and their use as antiproliferative agents Boehringer Ingelheim International GmbH (DE) 2005-11-23 EP disclosed
EP-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP disclosed
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US disclosed
CN-85103724-B Process for preparing pyrrolobenzimidazoles 曼海姆伯灵格股份公司 1988-07-06 CN disclosed
CN-85103724-A The method for preparing novel pyrrolo-benzoglyoxaline 1986-07-02 CN disclosed
EP-0161632-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1985-11-21 EP 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents MKI67, CCNI, CCNA1 PGR 355/4885AKR1B1 627/4885PDK2 137/4885
US-12404239-B2 Modulators of BCL6 as ligand directed degraders BCL6, BCL6B, BCL3 PGR 1987/4885AKR1B1 1896/4885PDK2 3576/4885
US-20250320183-A1 Modulators of BCL6 as Ligand Directed Degraders BCL6, BCL6B, BCL3 PGR 1987/4885AKR1B1 1896/4885PDK2 3576/4885
US-12054488-B2 Pyrazolopyrimidine compound and preparation method therefor and use thereof in preparation of anti-cancer drug PIK3CA, PIK3CD, PIK3R5 PGR 934/4885AKR1B1 1529/4885PDK2 140/4885
US-20240025851-A1 Modulators of BCL6 as Ligand Directed Degraders BCL6, BCL6B, BCL3 PGR 1987/4885AKR1B1 1896/4885PDK2 3576/4885
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents ABCB1, CYP3A43, CYP3A5 PGR 2112/4885AKR1B1 134/4885PDK2 537/4885
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof TRPV1, TRPV3, TRPA1 PGR 3959/4885AKR1B1 2200/4885PDK2 1122/4885

“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.