SCHEMBL1848631

SCHEMBL1848631

Brc1cccc(Cn2ccnc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 1.00
CYP11B2 P19099 10/20 1.00
ADRA2C P18825 1/20 1.00
CYP19A1 P11511 6/20 0.65
CYP1A2 P05177 1/20 0.64
POLB P06746 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
TBXAS1 P24557 1/20 0.64
QPCT Q16769 1/20 0.64
CYP4Z1 Q86W10 1/20 0.64
QPCTL Q9NXS2 1/20 0.64
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
PGGT1B P53609 1/20 0.57

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
SCHEMBL394308 0.88 CYP11B1 (0.83) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL1719741 0.84 CYP11B1 (0.72) CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL31060578 0.82 CYP11B1 (0.70) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL17407550 0.82 CYP11B1 (0.70) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL24733003 0.80 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL9661609 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL12205 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL30448042 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL860653 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL10997898 0.80 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12194448-B2 Catalysts for the transformation of carbon dioxide and glycerol to formic acid and lactic acid and methods of making the same THE GEORGE WASHINGTON UNIVERSITY (US) 2025-01-14 US claimed
US-20200171474-A1 CATALYSTS FOR THE TRANSFORMATION OF CARBON DIOXIDE AND GLYCEROL TO FORMIC ACID AND LACTIC ACID AND METHODS OF MAKING THE SAME THE GEORGE WASHINGTON UNIVERSITY 2020-06-04 US claimed
WO-2018213821-A1 CATALYSTS FOR THE TRANSFORMATION OF CARBON DIOXIDE AND GLYCEROL TO FORMIC ACID AND LACTIC ACID AND METHODS OF MAKING THE SAME THE GEORGE WASHINGTON UNIVERSITY (US) 2018-11-22 WO claimed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP claimed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 EP claimed
US-12194448-B2 Catalysts for the transformation of carbon dioxide and glycerol to formic acid and lactic acid and methods of making the same THE GEORGE WASHINGTON UNIVERSITY (US) 2025-01-14 US disclosed
US-20200171474-A1 CATALYSTS FOR THE TRANSFORMATION OF CARBON DIOXIDE AND GLYCEROL TO FORMIC ACID AND LACTIC ACID AND METHODS OF MAKING THE SAME THE GEORGE WASHINGTON UNIVERSITY 2020-06-04 US disclosed
WO-2018213821-A1 CATALYSTS FOR THE TRANSFORMATION OF CARBON DIOXIDE AND GLYCEROL TO FORMIC ACID AND LACTIC ACID AND METHODS OF MAKING THE SAME THE GEORGE WASHINGTON UNIVERSITY (US) 2018-11-22 WO disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
WO-2010066658-A1 COMPOUNDS WHICH POTENTIATE THE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-06-17 WO disclosed
WO-2010026365-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2010-03-11 WO disclosed
EP-0281121-B1 1-(1-ARYL-2-HYDROXY-ETHYL)-IMIDAZOLES AND THEIR SALTS, PROCESSES FOR THEIR PREPARATION, DRUGS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-29 EP disclosed
US-4999352-A Antidepressants or fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed
EP-0281121-A1 1-(1-Aryl-2-hydroxy-ethyl)-imidazoles and their salts, processes for their preparation, drugs containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-07 EP disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4431815-A CARDIOTONIC AND ANTISHOCK AGENTS; ANTICOAGULANTS BURROUGHS WELLCOME CO. (US) 1984-02-14 US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 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 (2 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-12194448-B2 Catalysts for the transformation of carbon dioxide and glycerol to formic acid and lactic acid and methods of making the same MLX, LDHA, CA2 CYP11B1 2753/4885CYP11B2 2830/4885ADRA2C 1778/4885
US-20200171474-A1 CATALYSTS FOR THE TRANSFORMATION OF CARBON DIOXIDE AND GLYCEROL TO FORMIC ACID AND LACTIC ACID AND METHODS OF MAKING THE SAME MLX, LDHA, CA2 CYP11B1 2753/4885CYP11B2 2830/4885ADRA2C 1778/4885

“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.