SCHEMBL4843869

SCHEMBL4843869

COc1[c]ccc(N)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.38
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
MAPT P10636 4/20 0.37
CASP1 P29466 1/20 0.37
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35
RAB9A P51151 3/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
FGB P02675 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL7198230 0.80 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL7468941 0.80 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL7355495 0.73 HPRT1 (0.38) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL4439979 0.73 ALDH1A1 (0.42) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7470694 0.72 SQOR (0.40) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL8375781 0.72 HSD17B10 (0.38) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL28366984 0.71 ALDH1A1 (0.32) ALDH1A1TDP1ADRA2BPTGS1SMN1; SMN2
SCHEMBL7466427 0.70 APP (0.42) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7471844 0.70 ALDH1A1 (0.35) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL9872229 0.69 ALDH1A1 (0.31) ALDH1A1TDP1ADRA2BPTGS1

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-7345045-B2 Pyrido-pyrimidine compounds as medicaments SCIOS, INC. (US) 2008-03-18 US disclosed
US-20050171123-A1 Quinazoline derivatives as medicaments SCIOS, INC. 2005-08-04 US disclosed
US-6277989-B1 USEFUL IN TREATING CONDITIONS THAT ARE CHARACTERIZED BY ENHANCED P38 KINASE ACTIVITY AND/OR TRANSFORMING GROWTH FACTOR BETA (TGF-.BETA.) ACTIVITY SUCH AS INFLAMMATION, PROLIFERATIVE DISEASES, AND CERTAIN CARDIOVASCULAR DISORDERS SCIOS, INC. 2001-08-21 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-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 PDE4B 867/4885PDE4A 1319/4885PDE4C 2139/4885

“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.