SCHEMBL17936867

SCHEMBL17936867

CC(C)(C)OC(=O)N1CCn2ncc(-c3cc(Cl)c(F)cn3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.40
▸ CYP3A5 P20815 2/20 0.40
▸ GPR119 Q8TDV5 6/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ RORC P51449 2/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ RET P07949 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL17936821 0.89 GPR119 (0.39) CYP3A4CYP3A5GPR119MKNK1CREBBP
SCHEMBL17936879 0.85 CYP3A4 (0.41) CYP3A4CYP3A5GPR119MKNK1RORC
SCHEMBL17936835 0.84 CYP3A4 (0.44) CYP3A4CYP3A5MKNK1RORCPOLB
SCHEMBL17936853 0.82 HPGDS (0.40) MKNK1CREBBPPOLB
SCHEMBL18017107 0.81 GRM5 (0.41) GPR119MKNK1CREBBPPOLBESR2
SCHEMBL17925609 0.79 SYK (0.44) GPR119CREBBPPOLBESR2MAPT
SCHEMBL17936847 0.79 CREBBP (0.39) CYP3A4CYP3A5GPR119MKNK1CREBBP
SCHEMBL17936852 0.79 GPR119 (0.38) CYP3A4CYP3A5GPR119MKNK1CREBBP
SCHEMBL17936818 0.78 CSNK1D (0.46) CYP3A4CYP3A5GPR119MKNK1RORC
SCHEMBL17936827 0.78 CSNK1D (0.44) CYP3A4CYP3A5GPR119MAPT

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-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-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 CYP3A4 11/4885CYP3A5 1/4885GPR119 1377/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 CYP3A4 58/4885CYP3A5 12/4885GPR119 269/4885

“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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