Sugi Predict

Sugi Predict / Compounds / SCHEMBL61794

SCHEMBL61794

SCHEMBL61794

Cc1cccc(C(C)C)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.46
▸ TSHR P16473 4/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ GABRG2 P18507 2/20 0.46
▸ GABRB3 P28472 2/20 0.46
▸ GABRB2 P47870 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ GABRB1 P18505 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ FAAH O00519 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ GABRA2 P47869 1/20 0.46

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
SCHEMBL29515496 1.00 GABRA1 (0.46) GABRA1TSHRCYP1A2GABRG2GABRB3
SCHEMBL2202295 0.85 GABRA1 (0.55) GABRA1TSHRCYP1A2GABRG2GABRB3
SCHEMBL15662344 0.82 GABRA1 (0.38) GABRA1TSHRCYP1A2GABRG2GABRB3
SCHEMBL16961841 0.82 ALDH1A1 (0.36) GABRA1TSHRCYP1A2GABRG2GABRB3
SCHEMBL2483839 0.82 GABRA1 (0.38) GABRA1TSHRCYP1A2GABRG2GABRB3
SCHEMBL15661957 0.82 GABRA1 (0.38) GABRA1TSHRCYP1A2GABRG2GABRB3
SCHEMBL7188455 0.81 ALDH1A1 (0.39) GABRA1TSHRCYP1A2GABRG2GABRB3
SCHEMBL23364639 0.79 ALDH1A1 (0.37) GABRA1TSHRCYP1A2GABRG2GABRB3
SCHEMBL29932778 0.79 ALDH1A1 (0.37) GABRA1TSHRCYP1A2GABRG2GABRB3
SCHEMBL16302188 0.79 TSHR (0.48) GABRA1TSHRCYP1A2GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024233605-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 — — WO disclosed
US-20240059689-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS MEDIVIR AB (SE) 2024-02-22 — — US disclosed
EP-4308566-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS Tango Therapeutics, Inc. (US) 2024-01-24 — — EP disclosed
CN-117425656-A Purine derivatives as anticancer agents 探戈医药股份有限公司 2024-01-19 — — CN disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 — — US disclosed
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2022-12-20 — — US disclosed
WO-2022197892-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS TANGO THERAPEUTICS, INC. (US) 2022-09-22 — — WO disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 — — US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 — — WO disclosed
US-6313137-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 — — US disclosed
CN-1307577-A Imidazo pyridine derivatives which inhibit gastric acid secretion ASTRA ZENECA AKTIEBOLAG (SE) 2001-08-08 — — CN disclosed
EP-1073657-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION AstraZeneca AB (SE) 2001-02-07 — — EP disclosed
WO-1999055706-A9 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRA AB (SE) 2000-03-16 — — WO disclosed
WO-1999055706-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 1999-11-04 — — WO disclosed
EP-0347690-B1 PROCESS FOR MANUFACTURING BENZENE DERIVATIVES, AND BENZENE DERIVATIVES BASF Aktiengesellschaft (DE) 1992-10-21 — — EP disclosed
US-5151548-A Crop protection agents BASF AKTIENGESELLSCHAFT (DE) 1992-09-29 — — US disclosed
EP-0347690-A2 Process for manufacturing benzene derivatives, and benzene derivatives BASF Aktiengesellschaft (DE) 1989-12-27 — — 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-20240059689-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS RRM2, TYMP, PNP GABRA1 4037/4885TSHR 1531/4885CYP1A2 1177/4885
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GABRA1 932/4885TSHR 2057/4885CYP1A2 4590/4885
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPN21, PTPN22, PTPN5 GABRA1 4276/4885TSHR 1123/4885CYP1A2 4041/4885
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS NAAA, CNR2, AADAC GABRA1 309/4885TSHR 3254/4885CYP1A2 513/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 GABRA1 1186/4885TSHR 323/4885CYP1A2 735/4885

“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.