SCHEMBL7284368

SCHEMBL7284368

NCc1ccc(Cn2ccnc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.73
CYP11B2 P19099 11/20 0.73
CYP19A1 P11511 7/20 0.70
CYP2A6 P11509 1/20 0.70
CYP2B6 P20813 1/20 0.70
TBXAS1 P24557 2/20 0.67
CYP1A2 P05177 1/20 0.67
POLB P06746 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
MAPT P10636 1/20 0.67
QPCT Q16769 1/20 0.67
CYP4Z1 Q86W10 1/20 0.67
QPCTL Q9NXS2 1/20 0.67
CYP17A1 P05093 1/20 0.64

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
SCHEMBL1024261 0.90 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL1775141 0.88 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL24733003 0.86 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL77025 0.85 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL6057476 0.84 CYP11B1 (0.75) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2529997 0.84 CYP11B1 (0.86) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL30946847 0.83 CYP11B1 (0.96) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL570342 0.82 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2729830 0.82 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL4700517 0.81 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110799500-B Degradable imidazolium oligomers and polymers for antimicrobial applications 新加坡科技研究局 2023-10-03 CN disclosed
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
EP-3621955-B1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY SCIENCE TECH & RES (SG) 2021-07-14 EP disclosed
EP-3621955-B1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY SCIENCE TECH & RES (SG) 2021-07-14 EP disclosed
US-10927100-B2 Degradable imidazolium oligomer and polymer for antimicrobial applications AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-02-23 US disclosed
US-10927100-B2 Degradable imidazolium oligomer and polymer for antimicrobial applications AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-02-23 US disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
US-20200181122-A1 Degradable Imidazolium Oligomer and Polymer for Antimicrobial Applications AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-11 US disclosed
US-20200181122-A1 Degradable Imidazolium Oligomer and Polymer for Antimicrobial Applications AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-11 US disclosed
EP-3621955-A1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS Agency for Science, Technology and Research (SG) 2020-03-18 EP disclosed
WO-2019004940-A1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-01-03 WO disclosed
WO-2019004940-A1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-01-03 WO disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
EP-0230035-B1 Omega-[(hetero)alkyl]benz[cd]indol-2-amines AMERICAN CYANAMID CO (US) 1994-10-12 EP disclosed
US-4728663-A HYPOTENSIVE, ANTIARRHYTHMIA AMERICAN CYANAMID COMPANY (US) 1988-03-01 US disclosed
EP-0230035-A2 Omega-[(hetero)alkyl]benz[cd]indol-2-amines AMERICAN CYANAMID COMPANY (US) 1987-07-29 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 (4 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-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases RORA, RORC, RORB CYP11B1 138/4885CYP11B2 161/4885CYP19A1 233/4885
US-10927100-B2 Degradable imidazolium oligomer and polymer for antimicrobial applications NOD2, CFTR, PUF60 CYP11B1 3790/4885CYP11B2 3749/4885CYP19A1 4646/4885
US-20200181122-A1 Degradable Imidazolium Oligomer and Polymer for Antimicrobial Applications NOD2, CFTR, PUF60 CYP11B1 3790/4885CYP11B2 3749/4885CYP19A1 4646/4885
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC CYP11B1 110/4885CYP11B2 118/4885CYP19A1 302/4885

“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.