SCHEMBL17936852

SCHEMBL17936852

Cc1nc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)ncc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP3A5 P20815 2/20 0.37
▸ CREBBP Q92793 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ ALK Q9UM73 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34

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
SCHEMBL17936847 0.86 CREBBP (0.39) GPR119CYP3A4CYP3A5CREBBPMAPT
SCHEMBL17936821 0.82 GPR119 (0.39) GPR119CYP3A4CYP3A5CREBBPMAPT
SCHEMBL17936879 0.80 CYP3A4 (0.41) GPR119CYP3A4CYP3A5CREBBPCDK9
SCHEMBL17936827 0.79 CSNK1D (0.44) GPR119CYP3A4CYP3A5MAPTCKS1B
SCHEMBL17936867 0.79 CYP3A4 (0.40) GPR119CYP3A4CYP3A5CREBBPMAPT
SCHEMBL17925972 0.78 CSNK1D (0.41) NR1H2
SCHEMBL17936818 0.77 CSNK1D (0.46) GPR119CYP3A4CYP3A5CREBBPMAPT
SCHEMBL17936853 0.77 HPGDS (0.40) CREBBPNR1H2MKNK1
SCHEMBL19781281 0.76 NR1H2 (0.42) GPR119MAPTCKS1BSKP1SKP2
SCHEMBL18017107 0.75 GRM5 (0.41) GPR119CREBBPMAPTNR1H2MKNK1

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

“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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