SCHEMBL2644744

SCHEMBL2644744

CC1(C)OB(c2c(F)cccc2C#N)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.37
LIPG Q9Y5X9 5/20 0.37
BCAT1 P54687 1/20 0.34
ESR2 Q92731 1/20 0.33
TSHR P16473 1/20 0.32
JAK2 O60674 2/20 0.32
BTK Q06187 2/20 0.32
TRPV4 Q9HBA0 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
SCHEMBL29469159 1.00 LPL (0.37) LPLLIPGBCAT1ESR2TSHR
SCHEMBL15026275 0.82 LPL (0.46) LPLLIPGJAK2BTK
SCHEMBL12365297 0.82 TSHR (0.46) LPLLIPGESR2TSHR
SCHEMBL31200765 0.81 DYRK1A (0.35) LPLLIPGESR2TSHRJAK2
SCHEMBL20605570 0.81 LPL (0.37) LPLLIPGESR2TRPV4
SCHEMBL25309188 0.80 LPL (0.34) LPLLIPGTSHRJAK2BTK
SCHEMBL12389605 0.78 POLB (0.40) TSHR
SCHEMBL21458742 0.78 LIPG (0.40) LPLLIPGJAK2BTK
SCHEMBL31483909 0.78 LIPG (0.40) LPLLIPGJAK2BTK
SCHEMBL29616950 0.77 LPL (0.37) LPLLIPGBCAT1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121421-B1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS AG (CH) 2026-03-11 EP disclosed
US-12466815-B2 Carboxamide compounds and uses thereof INCYTE CORPORATION (US) 2025-11-11 US disclosed
US-12297208-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-13 US disclosed
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-06 US disclosed
US-20240382457-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS PHARMA AG (CH) 2024-11-21 US disclosed
US-12083101-B2 Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors NOVARTIS AG (CH) 2024-09-10 US disclosed
US-20240150326-A1 CARBOXAMIDE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2024-05-09 US disclosed
CN-112292380-B N- (phenyl) -2- (phenyl) pyrimidine-4-carboxamide derivatives and related compounds as HPK1 inhibitors for the treatment of cancer 因赛特公司 2024-04-05 CN disclosed
US-20240083913-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2024-03-14 US disclosed
US-20240043448-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2024-02-08 US disclosed
EP-1532136-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP disclosed
EP-1511748-A1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
EP-1511747-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
EP-1504007-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-02-09 EP disclosed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 US disclosed
WO-2004076452-A1 5,8-DIFLUOROIMIDAZO[1,2-a]PYRIDINES AS GABA-A α2/α3 LIGANDS FOR TREATING ANXIETY AND/OR DEPRESSION MERCK SHARP & DOHME LIMITED (GB) 2004-09-10 WO disclosed
WO-2004014891-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 WO disclosed
WO-2003099817-A1 8-FLUORIMIDAZO`1,2-A!PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 WO disclosed
WO-2003099816-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 WO disclosed
WO-2003093272-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-11-13 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 (9 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-12297208-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS LPL 2624/4885LIPG 2348/4885BCAT1 4212/4885
US-12083101-B2 Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors YAP1, TEAD3, TEAD2 LPL 2345/4885LIPG 2795/4885BCAT1 160/4885
US-20240382457-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS YAP1, TEAD3, TEAD2 LPL 2345/4885LIPG 2795/4885BCAT1 160/4885
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression GABRA1, GABRA5, GABRA2 LPL 4762/4885LIPG 4876/4885BCAT1 482/4885
US-20240150326-A1 CARBOXAMIDE COMPOUNDS AND USES THEREOF PCK1, PHKG2, PHKG1 LPL 2908/4885LIPG 3259/4885BCAT1 1503/4885
US-20240083913-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS LPL 2624/4885LIPG 2348/4885BCAT1 4212/4885
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS LPL 2624/4885LIPG 2348/4885BCAT1 4212/4885
US-12466815-B2 Carboxamide compounds and uses thereof PCK1, PHKG2, PHKG1 LPL 2908/4885LIPG 3259/4885BCAT1 1503/4885
US-20240043448-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS LPL 2624/4885LIPG 2348/4885BCAT1 4212/4885

“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.