SCHEMBL5470320

SCHEMBL5470320

CC(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCN(C(C)=O)CC4)c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.53
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PI4KB Q9UBF8 7/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KCNH2 Q12809 4/20 0.43
CYP3A4 P08684 2/20 0.43
PTPN11 Q06124 1/20 0.42
PIK3CG P48736 1/20 0.41
ATR Q13535 2/20 0.40
JAK2 O60674 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL5464424 0.88 NOS1 (0.57) NOS1PI4KBKCNH2CYP3A4PIK3CG
SCHEMBL5469828 0.87 NOS1 (0.56) NOS1MAPTPI4KBPDE4APDE4B
SCHEMBL5461693 0.87 NOS1 (0.56) NOS1PIK3CG
SCHEMBL5467586 0.87 NOS1 (0.70) NOS1PI4KBKCNH2PTPN11PIK3CG
SCHEMBL4523686 0.84 PDE4A (0.59) MEN1MAPTKMT2API4KBPDE4A
SCHEMBL5469937 0.81 NOS1 (0.75) NOS1PI4KBPDE4APDE4BPDE4C
SCHEMBL3765184 0.80 NOS1 (0.64) NOS1PIK3CGATRJAK2
SCHEMBL3765421 0.79 NOS1 (0.63) NOS1PIK3CGATRJAK2
SCHEMBL3765436 0.79 NOS1 (0.63) NOS1PIK3CGATRJAK2
SCHEMBL3770209 0.79 NOS1 (0.71) NOS1PIK3CGATR

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 107/4885MEN1 3052/4885MAPT 919/4885

“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.