SCHEMBL2555787

SCHEMBL2555787

O=Cc1ccc(-c2cccc(F)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.49
TAAR1 Q96RJ0 2/20 0.46
ESR2 Q92731 1/20 0.46
CYP17A1 P05093 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MAP4K4 O95819 1/20 0.43

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
SCHEMBL14687856 0.85 F2R (0.49) F2RMAP4K4
SCHEMBL2553880 0.85 F2R (0.49) F2RMAP4K4
SCHEMBL8233042 0.83 F2R (0.49) F2RTAAR1ESR2CYP17A1CYP3A4
SCHEMBL30679648 0.81 CNR2 (0.47) F2RTAAR1MAP4K4
SCHEMBL26031105 0.81 HSD17B1 (0.60) ESR2CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL5247452 0.81 CNR2 (0.47) F2RTAAR1MAP4K4
SCHEMBL12284810 0.81 F2R (0.46) F2RMAP4K4
SCHEMBL30893537 0.81 KCNJ1 (0.44)
SCHEMBL16761877 0.81 KCNJ1 (0.44)
SCHEMBL29893944 0.81 KCNJ1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
EP-2558465-B1 TRICYCLIC PYRIDYL-VINYL-PYROLES AS PAR1 INHIBITORS SANOFI SA (FR) 2014-12-17 EP disclosed
EP-2558465-B1 TRICYCLIC PYRIDYL-VINYL-PYROLES AS PAR1 INHIBITORS SANOFI SA (FR) 2014-12-17 EP disclosed
US-8871798-B2 Tricyclic pyridyl-vinyl pyrroles as PAR1 inhibitors SANOFI (FR) 2014-10-28 US disclosed
US-20130040943-A1 TRICYCLIC PYRIDYL-VINYL PYRROLES AS PAR1 INHIBITORS SANOFI (FR) 2013-02-14 US disclosed
US-20130040981-A1 Pyridylvinylpyrazoloquinolines as PAR1 inhibitors SANOFI (FR) 2013-02-14 US disclosed
US-20130040943-A1 TRICYCLIC PYRIDYL-VINYL PYRROLES AS PAR1 INHIBITORS SANOFI (FR) 2013-02-14 US disclosed
US-20130040981-A1 Pyridylvinylpyrazoloquinolines as PAR1 inhibitors SANOFI (FR) 2013-02-14 US disclosed
US-20130040981-A1 Pyridylvinylpyrazoloquinolines as PAR1 inhibitors SANOFI (FR) 2013-02-14 US disclosed
US-20130040943-A1 TRICYCLIC PYRIDYL-VINYL PYRROLES AS PAR1 INHIBITORS SANOFI (FR) 2013-02-14 US disclosed
WO-2011128420-A1 PYRIDYL-VINYL PYRAZOLOQUINOLINES AS PAR1 INHIBITORS SANOFI (FR) 2011-10-20 WO disclosed
WO-2011128421-A1 TRICYCLIC PYRIDYL-VINYL PYRROLES AS PAR1 INHIBITORS SANOFI (FR) 2011-10-20 WO disclosed
WO-2011128421-A1 TRICYCLIC PYRIDYL-VINYL PYRROLES AS PAR1 INHIBITORS SANOFI (FR) 2011-10-20 WO disclosed
EP-2062890-B1 Tricyclic thrombin receptor antagonist SCHERING CORP (US) 2011-01-05 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 (4 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-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 F2R 4409/4885TAAR1 1770/4885ESR2 1138/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 F2R 4572/4885TAAR1 3547/4885ESR2 1885/4885
US-20130040981-A1 Pyridylvinylpyrazoloquinolines as PAR1 inhibitors F2R, F2RL1, F2RL3 F2R 1/4885TAAR1 2165/4885ESR2 1796/4885
US-20130040943-A1 TRICYCLIC PYRIDYL-VINYL PYRROLES AS PAR1 INHIBITORS F2R, F2RL1, F2RL3 F2R 1/4885TAAR1 1563/4885ESR2 2444/4885

“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.