SCHEMBL12205

SCHEMBL12205

Cc1cccc(Cn2ccnc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 1.00
CYP11B2 P19099 11/20 1.00
ADRA2C P18825 1/20 0.67
CYP19A1 P11511 6/20 0.65
TBXAS1 P24557 2/20 0.64
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
QPCT Q16769 1/20 0.64
CYP4Z1 Q86W10 1/20 0.64
QPCTL Q9NXS2 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
SCHEMBL394308 0.88 CYP11B1 (0.83) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL6987181 0.84 CYP11B1 (0.72) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL12299569 0.83 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL14647046 0.83 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL15872000 0.82 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL24733003 0.80 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL10997898 0.80 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL1848631 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL9747422 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL860653 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62187403-A None JP disclosed
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
WO-2023274257-A1 IMIDAZOLE COMPOUND, AND INTERMEDIATE AND APPLICATION THEREOF 诸葛国琴 2023-01-05 WO disclosed
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 US disclosed
US-9150519-B2 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2015-10-06 US disclosed
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 US disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-5100890-A Antidepressants, Fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
EP-0218118-B1 ARYLMETHYL AZOLES AND THEIR SALTS, METHOD FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-18 EP disclosed
US-5023357-A Arylmethylazole preparation processes HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed
US-4876354-A FUNGICIDES, ANTIDEPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-24 US disclosed
JP-S62187403-A PLANT-GROWTH REGULATOR RIKAGAKU KENKYUSHO 1987-08-15 JP disclosed
EP-0218118-A1 Arylmethyl azoles and their salts, method for their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-15 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 (5 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS CYP11B1 4237/4885CYP11B2 4441/4885ADRA2C 4736/4885
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD CYP11B1 825/4885CYP11B2 1073/4885ADRA2C 4545/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD CYP11B1 825/4885CYP11B2 1073/4885ADRA2C 4545/4885
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD CYP11B1 825/4885CYP11B2 1073/4885ADRA2C 4545/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB CYP11B1 2487/4885CYP11B2 3447/4885ADRA2C 4190/4885

“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.