SCHEMBL4618217

SCHEMBL4618217

CCOc1cc(OC[C@H]2CCCN2Cc2ccccc2)c2c(=O)[nH]cnc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.45
SYK P43405 2/20 0.43
BRD4 O60885 1/20 0.42
SPHK1 Q9NYA1 4/20 0.39
SPHK2 Q9NRA0 3/20 0.39
OPRD1 P41143 1/20 0.39
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 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
SCHEMBL2798663 0.97 FAAH (0.42) FAAHSYKBRD4SPHK1SPHK2
SCHEMBL2801187 0.90 BRD4 (0.47) FAAHSYKBRD4OPRD1
SCHEMBL4924459 0.87 BRD4 (0.38) FAAHSYKBRD4KDM4EMEN1
SCHEMBL4924585 0.82 ALDH1A1 (0.36) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL14089392 0.81 CHRNB4 (0.41)
SCHEMBL2797321 0.79 CPT1A (0.36) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL5735308 0.79 SPHK2 (0.43) SPHK1SPHK2
SCHEMBL3520472 0.79 SPHK2 (0.43) SPHK1SPHK2
SCHEMBL3187133 0.74 NPC1 (0.44) KDM4EHSD17B10PARP1
SCHEMBL30353899 0.74 NPC1 (0.44) KDM4EHSD17B10PARP1

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-20080194556-A1 Quinazolines and Their Use as Aurora Kinase Inhibitors ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1888572-A1 QUINAZOLINES AND THEIR USE AS AURORA KINASE INHIBITORS AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006129064-A1 QUINAZOLINES AND THEIR USE AS AURORA KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-12-07 WO 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-20080194556-A1 Quinazolines and Their Use as Aurora Kinase Inhibitors AURKA, AURKC, AURKB FAAH 4376/4885SYK 1206/4885BRD4 475/4885

“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.