SCHEMBL20443883

SCHEMBL20443883

CC(C)c1ccc(O)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SLC6A2 P23975 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ TRPA1 O75762 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ GABRA1 P14867 3/20 0.44
▸ GABRB2 P47870 3/20 0.44
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTR2C P28335 1/20 0.41

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
SCHEMBL12173269 0.84 EIF4A3 (0.41) ADRA1ALMNASLC6A2HTR2BTRPA1
SCHEMBL19249192 0.84 GABRA1 (0.50) ADRA1ALMNASLC6A2HTR2BTRPA1
SCHEMBL15631302 0.84 ADRA1A (0.57) ADRA1ALMNASLC6A2HTR2BTRPA1
SCHEMBL10302847 0.84 ADRB2 (0.43) ADRA1ALMNASLC6A2HTR2BTRPA1
SCHEMBL27956120 0.82 ADRA1A (0.42) ADRA1ALMNASLC6A2HTR2BTRPA1
SCHEMBL20711666 0.80 LMNA (0.41) ADRA1ALMNASLC6A2HTR2BTRPA1
SCHEMBL15177555 0.79 GABRA1 (0.60) ADRA1ALMNASLC6A2HTR2BTRPA1
SCHEMBL17429416 0.79 TSHR (0.53) ADRA1AGABRA1GABRB2HPGDTSHR
SCHEMBL4562095 0.78 ADRA2A (0.41) ADRA1AADRB2ADRB1ADRB3ADRA2A
SCHEMBL12787049 0.77 ADRB2 (0.39) ADRA1ALMNASLC6A2HTR2BTRPA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339160-B2 Imidazole and triazole containing bicyclic compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-05-24 — — US disclosed
US-11015120-B2 Low birefringence ferroelectric liquid crystal mixtures THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-05-25 — — US disclosed
US-10968205-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-04-06 — — US disclosed
US-20210040085-A1 IMIDAZOLE AND TRIAZOLE CONTAINING BICYCLIC COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-02-11 — — US disclosed
WO-2020154350-A1 IMIDAZO[1,5-A]PYRIDINE, 1,2,4-TRIAZOLO[4,3-A]PYRIDINE AND IMIDAZO[1,5-A]PYRAZINE AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-07-30 — — WO disclosed
US-20200216423-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-07-09 — — US disclosed
US-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-17 — — US disclosed
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-27 — — US disclosed
WO-2019027960-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 — — WO disclosed
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 — — US disclosed
US-20180216004-A1 LOW BIREFRINGENCE FERROELECTRIC LIQUID CRYSTAL MIXTURES THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-08-02 — — US 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 (7 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-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 ADRA1A 4333/4885LMNA 4634/4885SLC6A2 4614/4885
US-10968205-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 ADRA1A 4333/4885LMNA 4634/4885SLC6A2 4614/4885
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 ADRA1A 4333/4885LMNA 4634/4885SLC6A2 4614/4885
US-11339160-B2 Imidazole and triazole containing bicyclic compounds as JAK inhibitors JAK3, JAK1, JAK2 ADRA1A 3742/4885LMNA 4823/4885SLC6A2 3203/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 ADRA1A 4333/4885LMNA 4634/4885SLC6A2 4614/4885
US-20200216423-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 ADRA1A 4333/4885LMNA 4634/4885SLC6A2 4614/4885
US-20210040085-A1 IMIDAZOLE AND TRIAZOLE CONTAINING BICYCLIC COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 ADRA1A 3742/4885LMNA 4823/4885SLC6A2 3203/4885

“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.

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