SCHEMBL17936875

SCHEMBL17936875

CC1CN(C(=O)OC(C)(C)C)Cc2ccnn21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.44
▸ GPR119 Q8TDV5 7/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SETD7 Q8WTS6 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ SMARCA2 P51531 1/20 0.38
▸ SMARCA4 P51532 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ SPR P35270 1/20 0.38

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
SCHEMBL30519647 0.80 RIPK1 (0.51) RIPK1PDK1PDK2MAPK1
SCHEMBL30622897 0.78 USP30 (0.39) GPR119NR1H2SETD7NAMPTSMARCA2
SCHEMBL19781607 0.77 MEN1 (0.37) GPR119NR1H2POLBMAPK1
SCHEMBL19781282 0.77 MEN1 (0.37) GPR119NR1H2POLBMAPK1
SCHEMBL26025548 0.76 SMARCA2 (0.38) GPR119NR1H2NAMPTSMARCA2SMARCA4
SCHEMBL26025547 0.75 NR1H2 (0.46) GPR119NR1H2NAMPTSMARCA2SMARCA4
SCHEMBL26026647 0.75 GPR119 (0.44) GPR119NR1H2PDK1PDK2SMARCA2
SCHEMBL26025549 0.75 GPR119 (0.44) GPR119NR1H2PDK1PDK2SMARCA2
SCHEMBL31568972 0.75 NR1H2 (0.44) GPR119NR1H2POLBSETD7MAPK1
SCHEMBL17936871 0.74 GPR119 (0.38) GPR119NR1H2POLBNAMPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118946555-A Compounds having T-structures formed by at least four rings for use in the treatment of cancer and other indications 瑟拉斯有限公司 2024-11-12 — — CN disclosed
WO-2023247595-A1 PYRAZOLOPYRAZINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 — — WO disclosed
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 RIPK1 3816/4885GPR119 1377/4885NR1H2 210/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 RIPK1 3176/4885GPR119 269/4885NR1H2 42/4885

“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