SCHEMBL17423581

SCHEMBL17423581

O=C(O)ON1CCN(c2c(F)cc(O)cc2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.34
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAOA P21397 1/20 0.31
TTR P02766 4/20 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
SCHEMBL17422311 0.78 KDM4E (0.37) GRM5KDM4E
SCHEMBL14967871 0.73 TAAR1 (0.35) FFAR4MAOA
SCHEMBL17431865 0.72 MAPT (0.44) KDM4E
SCHEMBL18876467 0.71 ALDH1A1 (0.38) FFAR4
SCHEMBL17422197 0.70 GPR119 (0.53)
SCHEMBL9184856 0.70
SCHEMBL28844421 0.67
Hydrochloric Acid SCHEMBL20584251 0.67 ALDH1A1 (0.53) KDM4E
SCHEMBL28244760 0.66 KDM4E (0.40) KDM4E
SCHEMBL16564223 0.64 RORC (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2019-01-15 US disclosed
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-06-15 US disclosed
EP-3166946-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST Pharm Co. Ltd. (KR) 2017-05-17 EP disclosed
WO-2016006975-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 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 (2 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-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof TNKS1BP1, TPI1, TPMT FFAR4 2784/4885GRM5 3377/4885KDM4E 1073/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 FFAR4 2921/4885GRM5 3466/4885KDM4E 1541/4885

“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.