SCHEMBL17936847

SCHEMBL17936847

CC(C)(C)OC(=O)N1CCn2ncc(-c3ncc(F)cn3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ HPGDS O60760 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP3A5 P20815 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ MKNK1 Q9BUB5 2/20 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
SCHEMBL17936852 0.86 GPR119 (0.38) CREBBPGPR119NR1H2MAPTCKS1B
SCHEMBL17936853 0.86 HPGDS (0.40) CREBBPHPGDSNR1H2POLBMKNK1
SCHEMBL17925972 0.84 CSNK1D (0.41) HPGDSNR1H2POLB
SCHEMBL17936818 0.81 CSNK1D (0.46) CREBBPGPR119HPGDSMAPTCYP3A4
SCHEMBL17936827 0.81 CSNK1D (0.44) GPR119HPGDSMAPTCKS1BSKP1
SCHEMBL17936879 0.80 CYP3A4 (0.41) CREBBPGPR119POLBCYP3A4CYP3A5
SCHEMBL17936821 0.80 GPR119 (0.39) CREBBPGPR119HPGDSMAPTCYP3A4
SCHEMBL17936915 0.79 ELANE (0.36) GPR119ELANE
SCHEMBL20159015 0.79 CKS1B (0.49) GPR119HPGDSNR1H2CKS1BSKP1
SCHEMBL17936867 0.79 CYP3A4 (0.40) CREBBPGPR119MAPTPOLBCYP3A4

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 CREBBP 1525/4885GPR119 1377/4885HPGDS 1645/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 CREBBP 687/4885GPR119 269/4885HPGDS 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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