SCHEMBL2798663

SCHEMBL2798663

CCOc1cc(OC[C@H]2CCCCN2Cc2ccccc2)c2c(=O)[nH]cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.42
OPRD1 P41143 1/20 0.42
SYK P43405 2/20 0.41
BRD4 O60885 1/20 0.41
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CHEK2 O96017 1/20 0.37
SPHK1 Q9NYA1 4/20 0.37
SPHK2 Q9NRA0 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4618217 0.97 FAAH (0.45) FAAHOPRD1SYKBRD4HSD17B10
SCHEMBL2801187 0.92 BRD4 (0.47) FAAHOPRD1SYKBRD4
SCHEMBL4924459 0.86 BRD4 (0.38) FAAHSYKBRD4MEN1KMT2A
SCHEMBL14089392 0.84 CHRNB4 (0.41)
SCHEMBL2797321 0.82 CPT1A (0.36) MEN1KMT2APOLB
SCHEMBL4924585 0.79 ALDH1A1 (0.36) HSD17B10MEN1KMT2A
SCHEMBL5735308 0.77 SPHK2 (0.43) SPHK1SPHK2
SCHEMBL3520472 0.77 SPHK2 (0.43) SPHK1SPHK2
SCHEMBL2799815 0.74 DAGLB (0.39) BRD4
SCHEMBL3187133 0.73 NPC1 (0.44) LMNAHSD17B10POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168143-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB 2010-07-01 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-20100168143-A1 QUINAZOLINE DERIVATIVES CCNI, NQO2, MKI67 FAAH 4290/4885OPRD1 3254/4885SYK 3013/4885

“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.