SCHEMBL17936827

SCHEMBL17936827

CC(C)(C)OC(=O)N1CCn2ncc(-c3ccccc3F)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 1/20 0.44
▸ CSNK1E P49674 1/20 0.44
▸ TP53 P04637 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SMARCA2 P51531 1/20 0.40
▸ SMARCA4 P51532 1/20 0.40
▸ PBRM1 Q86U86 1/20 0.40
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CYP3A5 P20815 2/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ GRM1 Q13255 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ HPGDS O60760 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
SCHEMBL17936818 0.87 CSNK1D (0.46) CSNK1DCSNK1ETP53THRBMAPT
SCHEMBL20159015 0.85 CKS1B (0.49) CSNK1EMAPK1CKS1BSKP1SKP2
SCHEMBL17925972 0.83 CSNK1D (0.41) CSNK1DCSNK1EGRM5GRM1HPGDS
SCHEMBL17936879 0.81 CYP3A4 (0.41) CYP3A4CYP3A5GPR119
SCHEMBL17936847 0.81 CREBBP (0.39) MAPTCKS1BSKP1SKP2CYP3A4
SCHEMBL17936853 0.81 HPGDS (0.40) GRM5GRM1HPGDS
SCHEMBL17936835 0.80 CYP3A4 (0.44) CSNK1DCSNK1EMAPTCYP3A4CYP3A5
SCHEMBL17936852 0.79 GPR119 (0.38) MAPTCKS1BSKP1SKP2CYP3A4
SCHEMBL17936821 0.79 GPR119 (0.39) TP53THRBMAPTCYP3A4CYP3A5
SCHEMBL17936867 0.78 CYP3A4 (0.40) MAPTCYP3A4CYP3A5GPR119

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 CSNK1D 4194/4885CSNK1E 3861/4885TP53 228/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 CSNK1D 3503/4885CSNK1E 3195/4885TP53 261/4885

“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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