SCHEMBL17926095

SCHEMBL17926095

CC1Cn2ncc(N3CC(C(=N)NO)CC3=O)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA13 Q8N1Q1 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ ELANE P08246 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL17926097 1.00 HDAC1 (0.32) HDAC1SCN9AMAP4K4CA12CA1
SCHEMBL17925889 0.88 CA1 (0.42) HDAC1SCN9AMAP4K4CA12CA1
SCHEMBL17925839 0.88 CA1 (0.42) HDAC1SCN9AMAP4K4CA12CA1
SCHEMBL17926117 0.88 MAPT (0.41) SCN9AMAP4K4CA12CA1CA2
SCHEMBL17925949 0.88 MAPT (0.41) SCN9AMAP4K4CA12CA1CA2
SCHEMBL17936870 0.87 MAP4K4 (0.34) HDAC1SCN9AMAP4K4CA12CA1
SCHEMBL17925862 0.86 CA1 (0.43) HDAC1SCN9AMAP4K4CA12CA1
SCHEMBL20560624 0.86 CA1 (0.43) HDAC1SCN9AMAP4K4CA12CA1
SCHEMBL17925864 0.86 CA1 (0.43) HDAC1SCN9AMAP4K4CA12CA1
SCHEMBL17936913 0.86 HDAC1 (0.30) HDAC1GPR119

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 6 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-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
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

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 HDAC1 614/4885SCN9A 4557/4885MAP4K4 2727/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 HDAC1 443/4885SCN9A 4374/4885MAP4K4 2670/4885
US-20180334461-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 HDAC1 443/4885SCN9A 4374/4885MAP4K4 2670/4885

“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.

Send feedback