SCHEMBL17936829

SCHEMBL17936829

C[C@H]1Cn2ncc(-c3ccc(F)cc3)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ PDK2 Q15119 3/20 0.37
▸ PDK1 Q15118 2/20 0.37
▸ SETD7 Q8WTS6 2/20 0.37
▸ ELANE P08246 1/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ TACR1 P25103 3/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GPR119 Q8TDV5 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
SCHEMBL17936824 1.00 HDAC1 (0.37) HDAC1HDAC2PDK2PDK1SETD7
SCHEMBL17925729 1.00 HDAC1 (0.37) HDAC1HDAC2PDK2PDK1SETD7
SCHEMBL17936845 0.87 PDK2 (0.38) PDK2PDK1ELANENTRK1GPR119
SCHEMBL28361066 0.87 HDAC1 (0.38) HDAC1HDAC2ELANETACR1POLB
SCHEMBL17936815 0.87 PDK2 (0.40) PDK2PDK1ELANENTRK1GPR119
SCHEMBL17936915 0.85 ELANE (0.36) HDAC1SETD7ELANENTRK1GPR119
SCHEMBL19632326 0.81 GPR119 (0.38) HDAC1SETD7ELANEGPR119
SCHEMBL21058315 0.81 GPR119 (0.38) HDAC1SETD7ELANEGPR119
SCHEMBL30622815 0.80 CSNK1D (0.37) HDAC1HDAC2PDK2SETD7
SCHEMBL30622940 0.80 CSNK1D (0.37) HDAC1HDAC2PDK2SETD7

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 HDAC1 614/4885HDAC2 599/4885PDK2 476/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 HDAC1 443/4885HDAC2 630/4885PDK2 284/4885

“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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