SCHEMBL1068547

SCHEMBL1068547

COc1c[c]ccc1OC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
PDE2A O00408 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
EPHX2 P34913 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
PDE10A Q9Y233 1/20 0.30
GRM2 Q14416 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL182573 0.92 CA12 (0.34) KCNK3KCNK9PDE2ACYP1A2CYP2C9
SCHEMBL621959 0.88 EPHX2 (0.33) PDE2AEPHX2
SCHEMBL8674 0.81 CA2 (0.46) CYP1A2CYP2C9CYP2C19CA12CA1
SCHEMBL16959238 0.80 L3MBTL1 (0.35) CYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL1065737 0.80 PDE2A (0.33) PDE2AEPHX2
SCHEMBL2138768 0.79 CA2 (0.43) CYP1A2CYP2C9CYP2C19CA12CA1
SCHEMBL27494520 0.79 CA2 (0.43) CYP1A2CYP2C9CYP2C19CA12CA1
SCHEMBL28251730 0.79 CA2 (0.43) CYP1A2CYP2C9CYP2C19CA12CA1
SCHEMBL1068712 0.78 SCN5A (0.33) PDE2AEPHX2
SCHEMBL1068429 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN claimed
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 US claimed
EP-3774732-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2021-02-17 EP claimed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 WO claimed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 US claimed
EP-3529245-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2019-08-28 EP claimed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO claimed
US-11970486-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-04-30 US disclosed
US-20240124435-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-18 US disclosed
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 US disclosed
EP-0154887-B1 NEW 2,5-DIARYL TETRAHYDROTHIOPHENES AND ANALOGS THEREOF AS PAF-ANTAGONISTS MERCK & CO. INC. (US) 1989-01-25 EP disclosed
EP-0257921-A2 New 1,3-diaryl cyclopentanes and derivatives thereof as paf antagonists MERCK & CO. INC. (US) 1988-03-02 EP disclosed
EP-0199324-A2 New 2,5-diaryl tetryhydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1986-10-29 EP disclosed
US-4595693-A Method of use of 2,5-diaryl tetrahydrofurans and analogs thereof as PAF-antagonists MERCK & CO., INC. (US) 1986-06-17 US disclosed
EP-0154887-A1 New 2,5-diaryl tetrahydrothiophenes and analogs thereof as paf-antagonists MERCK & CO. INC. (US) 1985-09-18 EP disclosed
US-4539332-A PLATELET ACTIVATION FACTOR MERCK & CO., INC. (US) 1985-09-03 US disclosed
EP-0144804-A2 New 2,5-diaryl tetrahydrofurans and analogs thereof as paf-antagonists MERCK & CO. INC. (US) 1985-06-19 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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B KCNK3 2866/4885KCNK9 2769/4885PDE2A 3259/4885
US-20240124435-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KCNK3 1621/4885KCNK9 2133/4885PDE2A 453/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 KCNK3 1621/4885KCNK9 2133/4885PDE2A 453/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B KCNK3 2866/4885KCNK9 2769/4885PDE2A 3259/4885
US-11970486-B2 Compounds and uses thereof NLN, ACHE, CLN6 KCNK3 1621/4885KCNK9 2133/4885PDE2A 453/4885

“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.