SCHEMBL17925972

SCHEMBL17925972

CC(C)(C)OC(=O)N1CCn2ncc(-c3ccc(F)cc3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 1/20 0.41
▸ CSNK1E P49674 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GRIA1 P42261 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ SLC34A1 Q06495 3/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ F2RL1 P55085 1/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ GRM1 Q13255 1/20 0.39

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
SCHEMBL20159015 0.88 CKS1B (0.49) CSNK1EHPGDSPRMT5WDR77NR1H2
SCHEMBL17936853 0.86 HPGDS (0.40) HPGDSPOLBJAK2NR1H2GRM5
SCHEMBL17936818 0.86 CSNK1D (0.46) CSNK1DCSNK1EHPGDS
SCHEMBL17936835 0.85 CYP3A4 (0.44) CSNK1DCSNK1EPOLBPRMT5WDR77
SCHEMBL17936847 0.84 CREBBP (0.39) HPGDSPOLBNR1H2
SCHEMBL29707416 0.84 PRMT5 (0.43) PRMT5WDR77NR1H2
SCHEMBL17936827 0.83 CSNK1D (0.44) CSNK1DCSNK1EHPGDSGRM5GRM1
SCHEMBL17926168 0.80 DPP4 (0.48) CSNK1DCSNK1EGRIA1GRM5GRM1
SCHEMBL17936824 0.79 HDAC1 (0.37) HDAC1HDAC2POLB
SCHEMBL17936829 0.79 HDAC1 (0.37) HDAC1HDAC2POLB

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 11 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-11168086-B2 Methods of synthesizing pyrazine compounds HOFFMANN-LA ROCHE INC. (US) 2021-11-09 — — US disclosed
US-20180334461-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2018-11-22 — — 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-9890167-B2 Pyrazine compounds for the treatment of infectious diseases HOFFMANN-LA ROCHE INC. (US) 2018-02-13 — — US disclosed
EP-3245206-A1 PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. Hoffmann-La Roche AG (CH) 2017-11-22 — — EP disclosed
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2016-08-18 — — 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
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 (3 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 CSNK1D 4194/4885CSNK1E 3861/4885HPGDS 1645/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 CSNK1D 3503/4885CSNK1E 3195/4885HPGDS 2133/4885
US-20180334461-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 CSNK1D 3503/4885CSNK1E 3195/4885HPGDS 2133/4885

“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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