SCHEMBL3828623

SCHEMBL3828623

Cc1c(Br)cncc1C#N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CYP11B2 P19099 7/20 0.34
CYP11B1 P15538 5/20 0.34
ABL1 P00519 1/20 0.33
KDR P35968 1/20 0.33
HTT P42858 1/20 0.31
EGFR P00533 2/20 0.30
ERBB2 P04626 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RAF1 P04049 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL31184858 1.00 TSHR (0.37) TSHRCYP11B2CYP11B1ABL1KDR
SCHEMBL15334774 0.84 TSHR (0.44) TSHRCYP11B2CYP11B1HTTRAF1
SCHEMBL3559922 0.79 TSHR (0.41) TSHRCYP11B2CYP11B1HTTRAF1
SCHEMBL9948298 0.77
SCHEMBL152386 0.75
SCHEMBL30551593 0.74 TSHR (0.37) TSHRCYP11B2CYP11B1RAF1ALDH1A1
SCHEMBL14809369 0.74 CYP11B2 (0.45) TSHRCYP11B2CYP11B1
SCHEMBL3825639 0.74 CYP11B2 (0.39) TSHRCYP11B2CYP11B1ALDH1A1
SCHEMBL2931936 0.74 CSNK1A1 (0.34) CYP11B2CYP11B1ABL1KDRHTT
SCHEMBL13755084 0.74 KDM1A (0.41) TSHRCYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709722-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 EP 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
US-20250163048-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-22 US disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
EP-4469455-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2024233547-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 WO disclosed
WO-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 WO disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
WO-2013090271-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-06-20 WO disclosed
EP-1999110-B1 PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES UCB PHARMA SA (BE) 2009-09-16 EP disclosed
US-20090221828-A1 Process for Preparing 1-Halo-2,7-Naphthyridinyl Derivatives UCB PHARMA, S.A. (BE) 2009-09-03 US disclosed
EP-2004188-A4 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP disclosed
EP-2004188-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-24 EP disclosed
EP-1999110-A2 PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES UCB Pharma, S.A. (BE) 2008-12-10 EP disclosed
WO-2007117400-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO disclosed
WO-2007107345-A2 PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES UCB PHARMA, S.A. (BE) 2007-09-27 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 (6 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 TSHR 4658/4885CYP11B2 1461/4885CYP11B1 3367/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE TSHR 4658/4885CYP11B2 1461/4885CYP11B1 3367/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE TSHR 4658/4885CYP11B2 1461/4885CYP11B1 3367/4885
US-20250163048-A1 COMPOUNDS AND METHODS OF USE RB1, CYP1B1, REN TSHR 1753/4885CYP11B2 11/4885CYP11B1 9/4885
US-20090221828-A1 Process for Preparing 1-Halo-2,7-Naphthyridinyl Derivatives NPM1, XPO4, BRD7 TSHR 2348/4885CYP11B2 1525/4885CYP11B1 2018/4885
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, HSD11B1 TSHR 1917/4885CYP11B2 8/4885CYP11B1 6/4885

“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.