SCHEMBL5456950

SCHEMBL5456950

COc1ccc(-c2cnc3nc(N)nc(N4CCNCC4CC4OCCO4)c3n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.56
GAK O14976 2/20 0.43
NEK2 P51955 1/20 0.40
MTOR P42345 1/20 0.38
MAP4K1 Q92918 1/20 0.37
MAP3K11 Q16584 1/20 0.36
STK17B O94768 1/20 0.36
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL5466199 0.90 NOS1 (0.56) NOS1GAKNEK2MTORMAP4K1
SCHEMBL5484245 0.85 NOS1 (0.57) NOS1GAKNEK2MAP4K1MAP3K11
SCHEMBL5472215 0.84 NOS1 (0.56) NOS1GAKNEK2MAP4K1MAP3K11
SCHEMBL5606918 0.84 NOS1 (0.65) NOS1GAKNEK2MTORMAP4K1
SCHEMBL5459283 0.84 NOS1 (0.54) NOS1GAKNEK2MAP4K1STK17B
SCHEMBL5614288 0.84 NOS1 (0.56) NOS1GAKNEK2MTORMAP4K1
SCHEMBL5469941 0.84 NOS1 (0.56) NOS1GAKNEK2MAP4K1STK17B
SCHEMBL5472017 0.84 NOS1 (0.56) NOS1GAKNEK2MAP4K1STK17B
SCHEMBL5461863 0.83 NOS1 (0.55) NOS1GAKNEK2MAP4K1STK17B
SCHEMBL5614223 0.83 NOS1 (0.55) NOS1GAKNEK2MAP4K1MAP3K11

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 8 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 claimed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 US claimed
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP claimed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 WO claimed
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
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 WO 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 107/4885GAK 2048/4885NEK2 2774/4885

“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.