SCHEMBL5484245

SCHEMBL5484245

CCCCCC1CNCCN1c1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)nc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.57
CYP2D6 P10635 4/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
GAK O14976 2/20 0.40
NEK2 P51955 2/20 0.38
MAP4K1 Q92918 1/20 0.37
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
MAP3K11 Q16584 1/20 0.35
STK17B O94768 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
SCHEMBL5614288 0.88 NOS1 (0.56) NOS1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4413213 0.87 PDE4A (0.45) NOS1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5614223 0.87 NOS1 (0.55) NOS1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5478328 0.86 NOS1 (0.53) NOS1GAKNEK2MAP4K1MAP3K11
SCHEMBL5456950 0.85 NOS1 (0.56) NOS1GAKNEK2MAP4K1TGFBR1
SCHEMBL5472215 0.85 NOS1 (0.56) NOS1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5606918 0.85 NOS1 (0.65) NOS1GAKNEK2MAP4K1TGFBR1
SCHEMBL5469941 0.84 NOS1 (0.56) NOS1SLC6A2SLC6A4SLC6A3GAK
SCHEMBL5472017 0.84 NOS1 (0.56) NOS1SLC6A2SLC6A4SLC6A3GAK
SCHEMBL5462871 0.84 NOS1 (0.59) NOS1GAKNEK2MAP4K1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 EP disclosed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF NOS1 107/4885CYP2D6 799/4885SLC6A2 2115/4885

“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.