SCHEMBL4119372

SCHEMBL4119372

COc1ccc(N)c(-n2cnc(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
PDPK1 O15530 1/20 0.35
PSEN1 P49768 6/20 0.35
PSEN2 P49810 6/20 0.35
APH1B Q8WW43 6/20 0.35
NCSTN Q92542 6/20 0.35
APH1A Q96BI3 6/20 0.35
PSENEN Q9NZ42 6/20 0.35
KCNH2 Q12809 2/20 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
SCHEMBL13816953 0.78 PDE3B (0.36) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL4129983 0.76 TXNRD1 (0.45)
SCHEMBL8564261 0.76 KDM4E (0.34) CYP1A2SIRT2SIRT1NNMTPDE10A
SCHEMBL4120960 0.74 ALDH1A1 (0.41) CYP1A2PDE3BPDE3APSEN1PSEN2
SCHEMBL3320325 0.72 NNMT (0.33) CYP1A2NNMTPDE10AKMT2A
SCHEMBL15222204 0.70 MAOA (0.50) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3325975 0.70 PDE3B (0.45) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL2266765 0.68 CASP3 (0.44) CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL17555891 0.68 PDE3B (0.49) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3321557 0.68 PDE10A (0.41) PDE3APDE10A

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
WO-2009070583-A1 PYRIDO[3,2-E]PYRAZINES, PROCESS FOR PREPARING THE SAME, AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed
WO-2009070583-A1 PYRIDO[3,2-E]PYRAZINES, PROCESS FOR PREPARING THE SAME, AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed
US-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 ELBION GMBH (DE) 2009-06-04 US disclosed
US-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 ELBION GMBH (DE) 2009-06-04 US disclosed
US-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 ELBION GMBH (DE) 2009-06-04 US 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-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 PDE12, PDE5A, PDE3A CYP1A2 35/4885CYP3A4 126/4885CYP2D6 285/4885

“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.