Sugi Predict

Sugi Predict / Compounds / SCHEMBL18525554

SCHEMBL18525554

SCHEMBL18525554

Cc1ccc(Cc2ccc(Cc3ccncc3)nc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 8/20 0.47
▸ CYP11B2 P19099 8/20 0.47
▸ CYP17A1 P05093 6/20 0.40
▸ CYP19A1 P11511 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL18459203 0.91 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL20169513 0.83 CYP11B1 (0.47) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL20684755 0.79 KEAP1 (0.41) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL21498910 0.78 TSHR (0.35) CYP11B1CYP11B2TSHRSMN1; SMN2MEN1
SCHEMBL17664105 0.78 MEN1 (0.40) TSHRSMN1; SMN2POLBALDH1A1MAPT
SCHEMBL18525559 0.78 CYP11B1 (0.51) CYP11B1CYP11B2ALDH1A1L3MBTL1LTA4H
SCHEMBL26003356 0.77 CYP11B1 (0.40) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL21165038 0.77 CYP11B1 (0.64) CYP11B1CYP11B2CYP3A4
SCHEMBL18836883 0.76 TSHR (0.41) CYP11B1CYP11B2CYP3A4TSHRSMN1; SMN2
SCHEMBL24287923 0.76 KDM4E (0.39) CYP11B1CYP11B2TSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126391-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS Technische Universität Darmstadt (DE) 2023-04-27 — — US disclosed
EP-4112631-A1 CASPASE-2 INHIBITOR COMPOUNDS Kintsugi Therapeutics S.L. (ES) 2023-01-04 — — EP disclosed
US-20220145339-A1 METHOD FOR PREPARATION OF PRIMARY AMINE COMPOUNDS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2022-05-12 — — US disclosed
US-20210198269-A1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTs) MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-07-01 — — US disclosed
US-20210013426-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2021-01-14 — — US disclosed
US-10239859-B2 Nitrogen-containing heterocycles as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-03-26 — — US disclosed
US-20180201600-A1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 — — US disclosed
US-9914732-B2 Diazabicyclo[4.3.1]decane derivatives for treatment of psychiatric disorders MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSC HAFTEN E.V. (DE) 2018-03-13 — — US disclosed
US-20170309831-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 — — US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US 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-20210013426-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OR51E2 CYP11B1 983/4885CYP11B2 1037/4885CYP17A1 646/4885
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L CYP11B1 4528/4885CYP11B2 4142/4885CYP17A1 4392/4885
US-20180201600-A1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES DDT, DNPH1, PTMS CYP11B1 408/4885CYP11B2 463/4885CYP17A1 2895/4885
US-20170309831-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OR51E2 CYP11B1 983/4885CYP11B2 1037/4885CYP17A1 646/4885
US-10239859-B2 Nitrogen-containing heterocycles as pesticides DDT, DNPH1, PTMS CYP11B1 408/4885CYP11B2 463/4885CYP17A1 2895/4885
US-20210198269-A1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTs) SLC2A1, SLC2A3, SLC2A4 CYP11B1 166/4885CYP11B2 260/4885CYP17A1 1872/4885
US-20230126391-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP8, FKBP2, FKBP1A CYP11B1 2102/4885CYP11B2 2228/4885CYP17A1 3594/4885

“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.