Sugi Predict

Sugi Predict / Compounds / SCHEMBL5550245

SCHEMBL5550245

SCHEMBL5550245

CC(=O)c1c(Br)cncc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HCAR2 Q8TDS4 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ CSNK1A1 P48729 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CSNK1G1 Q9HCP0 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ HTT P42858 4/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ MITF O75030 2/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32

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
SCHEMBL1770151 0.85 CYP11B2 (0.35) THRBMEN1CYP3A4HPGDKMT2A
SCHEMBL29954221 0.83 HCAR2 (0.37) THRBMEN1KMT2AHCAR2POLB
SCHEMBL4061073 0.77 HCAR2 (0.46) MEN1KMT2AHCAR2POLBALDH1A1
SCHEMBL31394030 0.75 ATM (0.50) MEN1CYP3A4HPGDKMT2AALDH1A1
SCHEMBL16657083 0.73 SMN1; SMN2 (0.39) HCAR2POLBCSNK1A1CSNK1DCLK2
SCHEMBL29187966 0.73 HCAR2 (0.44) MEN1CYP3A4KMT2AHCAR2POLB
SCHEMBL5725168 0.72 CSNK1A1 (0.38) THRBMEN1CYP3A4HPGDKMT2A
SCHEMBL10497731 0.72 CYP3A4 (0.43) THRBMEN1CYP3A4HPGDKMT2A
SCHEMBL11846322 0.72 THRB (0.54) THRBMEN1CYP3A4HPGDKMT2A
SCHEMBL18158951 0.72 SMN1; SMN2 (0.33) HCAR2POLBSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 — — US disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 — — US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 — — EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 — — CN disclosed
CN-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 — — CN disclosed
EP-4511116-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 — — EP disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 — — US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 — — US disclosed
CN-118546154-A CDK inhibitors 上海齐鲁制药研究中心有限公司 2024-08-27 — — CN disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 — — US disclosed
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 — — US disclosed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 — — EP disclosed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 — — US disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 — — US disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 — — US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 — — US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 — — US disclosed
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 — — EP disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 — — US disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 — — WO 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 (8 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE THRB 4622/4885MEN1 3914/4885CYP3A4 195/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE THRB 4622/4885MEN1 3914/4885CYP3A4 195/4885
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL ADH1A, ADH1C, ADH5 THRB 1028/4885MEN1 3611/4885CYP3A4 451/4885
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 THRB 1702/4885MEN1 1285/4885CYP3A4 2782/4885
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 THRB 1043/4885MEN1 1966/4885CYP3A4 57/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE THRB 4622/4885MEN1 3914/4885CYP3A4 195/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 THRB 2275/4885MEN1 3962/4885CYP3A4 685/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE THRB 4622/4885MEN1 3914/4885CYP3A4 195/4885

“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.