SCHEMBL2891190

SCHEMBL2891190

CCOC(=O)c1ccc(OC(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.46
GABRG2 P18507 7/20 0.46
GABRB3 P28472 7/20 0.46
GABRA5 P31644 7/20 0.46
GABRA3 P34903 7/20 0.46
GABRA2 P47869 7/20 0.46
GABRP O00591 6/20 0.46
GABRD O14764 6/20 0.46
GABRB1 P18505 6/20 0.46
GABRB2 P47870 6/20 0.46
GABRA4 P48169 6/20 0.46
GABRE P78334 6/20 0.46
GABRA6 Q16445 6/20 0.46
GABRG1 Q8N1C3 6/20 0.46
GABRG3 Q99928 6/20 0.46
GABRQ Q9UN88 6/20 0.46
CYP1A2 P05177 1/20 0.45
PCSK9 Q8NBP7 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 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
SCHEMBL712413 0.87 CYP1A2 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18674160 0.85 TSHR (0.42) SMN1; SMN2NPC1LMNAMAPK1RAB9A
SCHEMBL2108310 0.83 MAPK1 (0.56) MAPTNPC1KDM4ELMNAMAPK1
SCHEMBL30640076 0.83 MAPK1 (0.56) MAPTNPC1KDM4ELMNAMAPK1
SCHEMBL9901416 0.83 CYP1A2 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15669996 0.80 KMT2A (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2140228 0.78 NPC1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL287558 0.78 P4HTM (0.53) MAPTALDH1A1KDM4EMAPK1
SCHEMBL749735 0.77 CYP1A2 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL347328 0.76 CYP1A2 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 US disclosed
EP-3388425-A1 AMINOAZOLE DERIVATIVE Teijin Pharma Limited (JP) 2018-10-17 EP disclosed
CN-108368068-A Amino Zole derivatives 帝人制药株式会社 2018-08-03 CN disclosed
US-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
CN-1930126-A Pyridone Derivatives BANYU PHARMA CO LTD (JP) 2007-03-14 CN disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 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 (3 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-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR GABRA1 2505/4885GABRG2 3591/4885GABRB3 2603/4885
US-10689354-B2 Aminoazole derivative AR, NR3C2, NR5A1 GABRA1 341/4885GABRG2 911/4885GABRB3 277/4885
US-20190031628-A1 AMINOAZOLE DERIVATIVE AR, NR3C2, NR5A1 GABRA1 341/4885GABRG2 911/4885GABRB3 277/4885

“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.