SCHEMBL4924459

SCHEMBL4924459

CCOc1cc(OC[C@H]2COCCN2Cc2ccccc2)c2c(=O)[nH]cnc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
PARP1 P09874 1/20 0.37
MAPT P10636 3/20 0.35
SCN9A Q15858 1/20 0.35
PDE1B Q01064 1/20 0.34
FAAH O00519 4/20 0.33
SYK P43405 3/20 0.33
IP6K1 Q92551 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 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
SCHEMBL4618217 0.87 FAAH (0.45) BRD4PARP1FAAHSYKALDH1A1
SCHEMBL2798663 0.86 FAAH (0.42) BRD4FAAHSYKMEN1KMT2A
SCHEMBL4924438 0.83 SYK (0.34) MAPTSYKALDH1A1MEN1KMT2A
SCHEMBL2801187 0.79 BRD4 (0.47) BRD4FAAHSYK
SCHEMBL14089392 0.73 CHRNB4 (0.41)
SCHEMBL4924585 0.73 ALDH1A1 (0.36) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2797321 0.72 CPT1A (0.36) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3187133 0.72 NPC1 (0.44) PARP1MAPTIP6K1KDM4EGAA
SCHEMBL30353899 0.72 NPC1 (0.44) PARP1MAPTIP6K1KDM4EGAA
SCHEMBL1177664 0.71 FAAH (0.48) FAAHTDP1

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-20080194556-A1 Quinazolines and Their Use as Aurora Kinase Inhibitors ASTRAZENECA AB (SE) 2008-08-14 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-20080194556-A1 Quinazolines and Their Use as Aurora Kinase Inhibitors AURKA, AURKC, AURKB BRD4 475/4885PARP1 512/4885MAPT 838/4885

“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.