SCHEMBL20508951

SCHEMBL20508951

C=CCc1nc(C)c(C)nc1C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MCL1 Q07820 1/20 0.31

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
SCHEMBL10373554 0.79 NPSR1 (0.33) NPSR1ALDH1A1HPGD
SCHEMBL18998188 0.76 PDE10A (0.33)
SCHEMBL4558725 0.73 GABRA1 (0.34) NPSR1
SCHEMBL3856071 0.72 NPSR1 (0.30) NPSR1
SCHEMBL20034210 0.70
SCHEMBL10385703 0.70 BCHE (0.35)
SCHEMBL10144470 0.69 PDE10A (0.43)
SCHEMBL10835168 0.69 PDE10A (0.43)
SCHEMBL27923489 0.69
SCHEMBL9116271 0.67 NPSR1 (0.39) NPSR1ALDH1A1HPGDL3MBTL1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891364-B2 Methods of selectively forming substituted pyrazines R.J. REYNOLDS TOBACCO COMPANY (US) 2024-02-06 US disclosed
CN-117486811-A Method for selectively forming substituted pyrazines R.J.雷诺兹烟草公司 2024-02-02 CN disclosed
CN-110637012-B Method for selectively forming substituted pyrazines R.J.雷诺兹烟草公司 2023-11-24 CN disclosed
US-20210403437-A1 METHODS OF SELECTIVELY FORMING SUBSTITUTED PYRAZINES REYNOLDS TOBACCO CO R (US) 2021-12-30 US disclosed
US-11091446-B2 Methods of selectively forming substituted pyrazines R.J. REYNOLDS TOBACCO COMPANY (US) 2021-08-17 US disclosed
EP-3601238-A1 METHODS OF SELECTIVELY FORMING SUBSTITUTED PYRAZINES R. J. Reynolds Tobacco Company (US) 2020-02-05 EP disclosed
CN-110637012-A Process for selectively forming substituted pyrazines R.J.雷诺兹烟草公司 2019-12-31 CN disclosed
WO-2018172995-A1 METHODS OF SELECTIVELY FORMING SUBSTITUTED PYRAZINES R. J. REYNOLDS TOBACCO COMPANY (US) 2018-09-27 WO disclosed
US-20180273492-A1 METHODS OF SELECTIVELY FORMING SUBSTITUTED PYRAZINES R.J. REYNOLDS TOBACCO COMPANY 2018-09-27 US disclosed
CN-101268064-A Pyrazine derivatives useful as adenosine receptor antagonists ALMIRALL LAB (ES) 2008-09-17 CN 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 (4 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-20180273492-A1 METHODS OF SELECTIVELY FORMING SUBSTITUTED PYRAZINES KHK, HK2, HK1 NPSR1 1842/4885ALDH1A1 542/4885HPGD 36/4885
US-11891364-B2 Methods of selectively forming substituted pyrazines KHK, HK2, HK1 NPSR1 1842/4885ALDH1A1 542/4885HPGD 36/4885
US-11091446-B2 Methods of selectively forming substituted pyrazines KHK, HK2, HK1 NPSR1 1842/4885ALDH1A1 542/4885HPGD 36/4885
US-20210403437-A1 METHODS OF SELECTIVELY FORMING SUBSTITUTED PYRAZINES KHK, HK2, HK1 NPSR1 1842/4885ALDH1A1 542/4885HPGD 36/4885

“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.