SCHEMBL17925609

SCHEMBL17925609

CC(C)(C)OC(=O)N1CCn2ncc(-c3cc(C(F)(F)F)ccn3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.44
▸ MAPT P10636 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.39
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP8B1 Q9UNU6 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ KCNK3 O14649 1/20 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
SCHEMBL18017107 0.88 GRM5 (0.41) SYKMAPTGPR119CCNKCDK12
SCHEMBL17936821 0.80 GPR119 (0.39) MAPTGPR119CREBBPESR2
SCHEMBL17936853 0.80 HPGDS (0.40) CREBBPPOLBGRM5NR1H2
SCHEMBL17936867 0.79 CYP3A4 (0.40) MAPTGPR119CREBBPPOLBESR2
SCHEMBL17925989 0.79 LMNA (0.48) MAPT
SCHEMBL17926147 0.77 TRPV1 (0.41) MAPTCSNK1DCSNK1E
SCHEMBL22615360 0.76 CREBBP (0.38) MAPTGPR119CREBBPPOLBESR2
SCHEMBL17925972 0.76 CSNK1D (0.41) POLBCSNK1DCSNK1EGRM5NR1H2
SCHEMBL17936847 0.76 CREBBP (0.39) MAPTGPR119CREBBPPOLBESR2
SCHEMBL20159015 0.76 CKS1B (0.49) GPR119CSNK1EMAPK1NR1H2

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 9 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
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
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 SYK 2795/4885MAPT 3648/4885GPR119 1377/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 SYK 2614/4885MAPT 2652/4885GPR119 269/4885
US-20180334461-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 SYK 2614/4885MAPT 2652/4885GPR119 269/4885

“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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