SCHEMBL17936853

SCHEMBL17936853

CC(C)(C)OC(=O)N1CCn2ncc(-c3ccc(F)cn3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.40
▸ GRM5 P41594 9/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37
▸ GRM1 Q13255 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17925972 0.86 CSNK1D (0.41) HPGDSGRM5JAK2GRM1NR1H2
SCHEMBL17936847 0.86 CREBBP (0.39) HPGDSMKNK1CREBBPNR1H2POLB
SCHEMBL17936821 0.83 GPR119 (0.39) HPGDSMKNK1CREBBP
SCHEMBL17936818 0.83 CSNK1D (0.46) HPGDSMKNK1CREBBPSMN1; SMN2
SCHEMBL17936867 0.82 CYP3A4 (0.40) MKNK1CREBBPPOLB
SCHEMBL18017107 0.81 GRM5 (0.41) GRM5MKNK1CREBBPNR1H2POLB
SCHEMBL17936827 0.81 CSNK1D (0.44) HPGDSGRM5GRM1
SCHEMBL17936845 0.81 PDK2 (0.38) —
SCHEMBL17925609 0.80 SYK (0.44) GRM5CREBBPNR1H2POLB
SCHEMBL22615360 0.80 CREBBP (0.38) MKNK1CREBBPNR1H2POLB

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 HPGDS 1645/4885GRM5 1183/4885JAK2 214/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 HPGDS 2133/4885GRM5 1293/4885JAK2 240/4885

“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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