SCHEMBL17936835

SCHEMBL17936835

CC(C)(C)OC(=O)N1CCn2ncc(-c3ccc(F)c(Cl)c3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.44
▸ CYP3A5 P20815 2/20 0.44
▸ PRMT5 O14744 2/20 0.41
▸ WDR77 Q9BQA1 2/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ RET P07949 1/20 0.40
▸ RORC P51449 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ CSNK1D P48730 1/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ USP30 Q70CQ3 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 0.85 CSNK1D (0.41) PRMT5WDR77CSNK1DCSNK1ENR1H2
SCHEMBL17936867 0.84 CYP3A4 (0.40) CYP3A4CYP3A5MKNK1RETRORC
SCHEMBL17936879 0.81 CYP3A4 (0.41) CYP3A4CYP3A5MKNK1RETRORC
SCHEMBL20159015 0.81 CKS1B (0.49) PRMT5WDR77CSNK1ENR1H2USP30
SCHEMBL17936818 0.81 CSNK1D (0.46) CYP3A4CYP3A5MKNK1RORCMAPT
SCHEMBL17936827 0.80 CSNK1D (0.44) CYP3A4CYP3A5MAPTCSNK1DCSNK1E
SCHEMBL16711308 0.79 CSNK1E (0.61) CSNK1DCSNK1E
SCHEMBL17926098 0.79 MAPT (0.55) MAPTCSNK1DCSNK1E
SCHEMBL29707416 0.79 PRMT5 (0.43) PRMT5WDR77NR1H2
SCHEMBL20596214 0.78 ALDH1A1 (0.41) MEN1KMT2AESR2MAPTNR1H2

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 CYP3A4 11/4885CYP3A5 1/4885PRMT5 109/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 CYP3A4 58/4885CYP3A5 12/4885PRMT5 344/4885

“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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