Sugi Predict

Sugi Predict / Compounds / SCHEMBL4120960

SCHEMBL4120960

SCHEMBL4120960

COc1ccc(NC(C)=O)c(-n2cnc(C)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NR2E1 Q9Y466 2/20 0.40
▸ PDE10A Q9Y233 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ MTNR1A P48039 3/20 0.36
▸ MTNR1B P49286 3/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ TNIK Q9UKE5 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KCNH2 Q12809 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
SCHEMBL4119372 0.74 CYP1A2 (0.36) NR2E1PDE10ACYP1A2KMT2APSEN1
SCHEMBL13816953 0.74 PDE3B (0.36) NR2E1PDE10ACYP1A2PSEN1PSEN2
SCHEMBL3056744 0.73 ALDH1A1 (0.56) ALDH1A1TSHRPDE10ACYP1A2MTNR1A
SCHEMBL8043286 0.73 PDE10A (0.50) ALDH1A1TSHRPDE10APDE3A
SCHEMBL4129983 0.72 TXNRD1 (0.45) MAPT
SCHEMBL4254971 0.71 CYP1A2 (0.47) ALDH1A1TSHRPDE10ACYP1A2MTNR1A
SCHEMBL972166 0.69 NR2E1 (0.47) ALDH1A1NR2E1DYRK1AMEN1KMT2A
SCHEMBL28692390 0.69 ALDH1A1 (0.48) ALDH1A1TSHRPDE10ACYP1A2MTNR1A
SCHEMBL29456216 0.69 NR2E1 (0.43) ALDH1A1NR2E1SMN1; SMN2MAPT
SCHEMBL15578868 0.68 NR2E1 (0.45) ALDH1A1TSHRNR2E1MEN1KMT2A

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 ALDH1A1 1079/4885TSHR 2416/4885NR2E1 2679/4885

“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.