SCHEMBL5457330

SCHEMBL5457330

COc1ccc(-c2cnc3nc(N)nc(N4CCNCC4C(=O)Nc4ccccc4)c3n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.53
NEK2 P51955 1/20 0.43
STK17B O94768 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
STK17A Q9UEE5 1/20 0.39
FYN P06241 1/20 0.38
PDPK1 O15530 1/20 0.38
CFTR P13569 1/20 0.38
CHEK1 O14757 1/20 0.38
ATR Q13535 1/20 0.38
MAP3K11 Q16584 1/20 0.37
GAK O14976 1/20 0.37
MAP4K1 Q92918 1/20 0.37

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
SCHEMBL5463628 0.93 NOS1 (0.51) NOS1NEK2STK17BPDE4APDE4B
SCHEMBL5461836 0.92 NOS1 (0.51) NOS1NEK2STK17BPDE4APDE4B
SCHEMBL5597459 0.91 NOS1 (0.51) NOS1NEK2STK17BPDE4APDE4B
SCHEMBL5463636 0.91 NOS1 (0.51) NOS1NEK2STK17BPDE4APDE4B
SCHEMBL5470249 0.89 NOS1 (0.51) NOS1NEK2STK17B
SCHEMBL6064705 0.88 NOS1 (0.60) NOS1NEK2STK17BPDE4APDE4B
SCHEMBL5466005 0.87 NOS1 (0.54) NOS1NEK2STK17BPDE4APDE4B
SCHEMBL5461552 0.87 NOS1 (0.53) NOS1NEK2STK17BPDE4APDE4B
SCHEMBL5470365 0.86 NOS1 (0.53) NOS1NEK2STK17BPDE4APDE4B
SCHEMBL5467850 0.86 NOS1 (0.53) NOS1NEK2STK17BPDE4APDE4B

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 3 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
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 107/4885NEK2 2774/4885STK17B 2678/4885

“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.