SCHEMBL4551815

SCHEMBL4551815

COc1ccc(-c2cnc3nc(N)nc(N4CCN(C(N)=O)CC4)c3n2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.77
PDE4D Q08499 2/20 0.55
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
NEK2 P51955 3/20 0.53
GAK O14976 3/20 0.51
PI4KB Q9UBF8 1/20 0.49
STK17B O94768 1/20 0.44
MAP4K1 Q92918 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PLK1 P53350 1/20 0.41
NEK1 Q96PY6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5469937 0.93 NOS1 (0.75) NOS1PDE4DPDE4APDE4BPDE4C
SCHEMBL5469817 0.92 NOS1 (0.79) NOS1PDE4DPDE4APDE4BPDE4C
SCHEMBL5456933 0.90 NOS1 (0.70) NOS1PDE4DPDE4APDE4BPDE4C
SCHEMBL5464730 0.89 NOS1 (0.69) NOS1PDE4DPDE4APDE4BPDE4C
SCHEMBL5461813 0.89 NOS1 (0.69) NOS1PDE4DPDE4APDE4BPDE4C
SCHEMBL5478223 0.89 NOS1 (0.69) NOS1PDE4DPDE4APDE4BPDE4C
SCHEMBL5461373 0.89 NOS1 (0.69) NOS1PDE4DPDE4APDE4BPDE4C
SCHEMBL5461351 0.89 NOS1 (0.68) NOS1PDE4DPDE4APDE4BPDE4C
SCHEMBL5469804 0.89 NOS1 (0.68) NOS1PDE4DPDE4APDE4BPDE4C
SCHEMBL5463713 0.89 NOS1 (0.74) NOS1PDE4DPDE4APDE4BPDE4C

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
US-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
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 (2 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-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HAVCR2, TYMP, HCCS NOS1 3411/4885PDE4D 4024/4885PDE4A 2969/4885
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF NOS1 107/4885PDE4D 1386/4885PDE4A 1037/4885

“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.