SCHEMBL6484403

SCHEMBL6484403

COc1cc2cnc(Nc3cccc4occc34)nc2cc1OCC(O)CN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
SRC P12931 1/20 0.45
KDR P35968 1/20 0.45
FGFR2 P21802 2/20 0.44
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 2/20 0.40
EGFR P00533 2/20 0.39
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HIF1A Q16665 2/20 0.38
NR1I2 O75469 1/20 0.38
NR3C1 P04150 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL3680668 0.83 SRC (0.65) AURKASRCKDRFGFR2EGFR
SCHEMBL3679981 0.83 SRC (0.65) AURKASRCKDRFGFR2EGFR
SCHEMBL3679562 0.78 SRC (0.75) AURKASRCKDRFGFR2EGFR
SCHEMBL5455019 0.76 EGFR (0.45) AURKAKDRFGFR2KDM4EMEN1
SCHEMBL5444198 0.76 AURKA (0.43) AURKAKDRFGFR2KDM4EMEN1
SCHEMBL3669402 0.75 SRC (0.60) AURKASRCKDREGFR
SCHEMBL6471413 0.74 AURKA (0.47) AURKASRCKDRFGFR2KDM4E
Hydrochloric Acid SCHEMBL7086434 0.71 EGFR (0.43) SRCKDREGFR
SCHEMBL3673829 0.68 SRC (0.88) SRCKDREGFR
SCHEMBL3673784 0.68 SRC (0.86) SRCKDREGFR

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
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 AURKA 1496/4885SRC 2778/4885KDR 2216/4885

“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.