SCHEMBL17936845

SCHEMBL17936845

CC1Cn2ncc(-c3ccc(F)cn3)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.38
▸ PDK1 Q15118 3/20 0.38
▸ P2RX7 Q99572 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ NTRK1 P04629 3/20 0.34
▸ ELANE P08246 1/20 0.34

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
SCHEMBL17936829 0.87 HDAC1 (0.37) PDK2PDK1GPR119NTRK1ELANE
SCHEMBL17936824 0.87 HDAC1 (0.37) PDK2PDK1GPR119NTRK1ELANE
SCHEMBL17925729 0.87 HDAC1 (0.37) PDK2PDK1GPR119NTRK1ELANE
SCHEMBL17936915 0.87 ELANE (0.36) P2RX7GPR119MAP4K4NTRK1ELANE
SCHEMBL17936815 0.84 PDK2 (0.40) PDK2PDK1GPR119NTRK1ELANE
SCHEMBL17936853 0.81 HPGDS (0.40) —
SCHEMBL19632326 0.78 GPR119 (0.38) GPR119MAP4K4ELANE
SCHEMBL21058315 0.78 GPR119 (0.38) GPR119MAP4K4ELANE
SCHEMBL21260292 0.77 GPR119 (0.37) GPR119MAP4K4ELANE
SCHEMBL17925910 0.77 PDK1 (0.36) PDK2PDK1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168086-B2 Methods of synthesizing pyrazine compounds HOFFMANN-LA ROCHE INC. (US) 2021-11-09 — — US disclosed
US-9890167-B2 Pyrazine compounds for the treatment of infectious diseases HOFFMANN-LA ROCHE INC. (US) 2018-02-13 — — US disclosed
US-9890167-B2 Pyrazine compounds for the treatment of infectious diseases HOFFMANN-LA ROCHE INC. (US) 2018-02-13 — — US disclosed
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2016-08-18 — — US disclosed
WO-2016113273-A1 PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2016-07-21 — — 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-11168086-B2 Methods of synthesizing pyrazine compounds CYP3A5, HAVCR2, HCCS PDK2 476/4885PDK1 633/4885P2RX7 514/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 PDK2 284/4885PDK1 245/4885P2RX7 324/4885

“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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