SCHEMBL3321435

SCHEMBL3321435

c1ncc2nnc3cncn3c2n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.33
ADA P00813 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HBB P68871 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28340215 0.63 FDPS (0.44) FDPSADAALDH1A1CYP1A2CYP3A4
SCHEMBL6125409 0.61 FDPS (0.54) FDPSADAALDH1A1CYP1A2CYP3A4
SCHEMBL28186936 0.61 FDPS (0.43) FDPSALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL28763050 0.61 FDPS (0.46) FDPSADAALDH1A1CYP1A2CYP3A4
SCHEMBL7474436 0.61 ADA (0.42) FDPSADAALDH1A1CYP1A2CYP3A4
SCHEMBL7787139 0.61 FDPS (0.42) FDPSALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL28779724 0.61 FDPS (0.42) FDPSALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL30341176 0.61 GRM5 (0.46) FDPSALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL840562 0.61 FDPS (0.46) FDPSADAALDH1A1CYP1A2CYP3A4
SCHEMBL5633 0.61 FDPS (0.42) FDPSALDH1A1CYP1A2CYP3A4CYP2C9

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 claimed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US claimed
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

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 FDPS 288/4885ADA 631/4885ALDH1A1 565/4885

“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.