SCHEMBL3325975

SCHEMBL3325975

COc1ccnc(-n2cnc(C)c2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
PSEN1 P49768 12/20 0.38
PSEN2 P49810 12/20 0.38
APH1B Q8WW43 12/20 0.38
NCSTN Q92542 12/20 0.38
APH1A Q96BI3 12/20 0.38
PSENEN Q9NZ42 12/20 0.38
KCNH2 Q12809 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP1A2 P05177 1/20 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
PDPK1 O15530 1/20 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
SCHEMBL17555891 0.81 PDE3B (0.49) PDE3BPDE3ACYP2E1CYP2A6PSEN1
SCHEMBL13361895 0.78 PDE3B (0.45) PDE3BPDE3ACYP2E1CYP2A6PSEN1
SCHEMBL3317315 0.77 PDE3B (0.47) PDE3BPDE3ACYP2E1CYP2A6PSEN1
SCHEMBL3754489 0.73 PSEN1 (0.42) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL3947341 0.70 ALDH1A1 (0.45)
SCHEMBL511511 0.70 NR4A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15222204 0.70 MAOA (0.50) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL4119372 0.70 CYP1A2 (0.36) PDE3BPDE3ACYP2E1CYP2A6PSEN1
SCHEMBL14353296 0.69 IKBKB (0.41) MAOACYP3A4
SCHEMBL6127790 0.69 PSEN1 (0.43) CYP2E1CYP2A6PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010054253-A1 TRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 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-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 PDE3B 7/4885PDE3A 4/4885CYP2E1 754/4885

“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.