SCHEMBL29907787

SCHEMBL29907787

COc1cccc(CN)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ADORA2A P29274 1/20 0.39
CD274 Q9NZQ7 2/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.38
BTK Q06187 1/20 0.38
PDCD1 Q15116 1/20 0.36
GRM5 P41594 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KCNH2 Q12809 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NNMT P40261 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL10568321 1.00 MPO (0.44) MPOKDM1AMAOAMAOBLOX
Hydrochloric Acid SCHEMBL10567170 0.98 MPO (0.43) MPOKDM1AMAOAMAOBLOX
SCHEMBL2940008 0.84 MPO (0.43) MPOKDM1AMAOAMAOBADORA2A
SCHEMBL29792045 0.84 MPO (0.43) MPOKDM1AMAOAMAOBADORA2A
Hydrochloric Acid SCHEMBL28899248 0.82 MPO (0.42) MPOKDM1AMAOAMAOBADORA2A
SCHEMBL217520 0.81 KDM1A (0.45) MPOKDM1AMAOAMAOBADORA2A
SCHEMBL18266390 0.80 MAPK8 (0.46) BTKGRM5KCNH2ALDH1A1
SCHEMBL4377728 0.80 MPO (0.43) MPOKDM1AMAOAMAOBADORA2A
SCHEMBL18705 0.79 KDM1A (0.44) MPOKDM1AMAOAMAOBADORA2A
SCHEMBL128108 0.79 KDM1A (0.44) MPOKDM1AMAOAMAOBADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 CN disclosed
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 US disclosed
CN-115181092-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-10-14 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 (1 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-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS NAMPT, NNT, NAPRT MPO 1605/4885KDM1A 2981/4885MAOA 981/4885

“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.