SCHEMBL4029922

SCHEMBL4029922

COc1cc2c(Cl)ncnc2cc1OCCCCCl

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.77
EGFR P00533 4/20 0.48
KDR P35968 8/20 0.47
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC9 Q9UKV0 5/20 0.47
HDAC5 Q9UQL6 5/20 0.47
AURKA O14965 1/20 0.46
SRC P12931 1/20 0.45
MAPK1 P28482 1/20 0.45
FLT1 P17948 1/20 0.45

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
SCHEMBL30864338 0.96 ENPP1 (0.79) ENPP1EGFRKDRHDAC3HDAC4
SCHEMBL31620798 0.96 ENPP1 (0.79) ENPP1EGFRKDRHDAC3HDAC4
SCHEMBL1013051 0.96 ENPP1 (0.79) ENPP1EGFRKDRHDAC3HDAC4
SCHEMBL1015576 0.96 ENPP1 (0.79) ENPP1EGFRKDRHDAC3HDAC4
Hydrochloric Acid SCHEMBL28825385 0.94 ENPP1 (0.77) ENPP1EGFRKDRHDAC3HDAC4
SCHEMBL1013021 0.93 ENPP1 (0.79) ENPP1EGFRKDRHDAC3HDAC4
SCHEMBL662795 0.93 ENPP1 (0.79) ENPP1EGFRKDRHDAC3HDAC4
SCHEMBL1012358 0.93 ENPP1 (0.79) ENPP1EGFRKDRHDAC3HDAC4
SCHEMBL13299050 0.89 ENPP1 (0.86) ENPP1EGFRKDRHDAC3HDAC4
SCHEMBL8649615 0.89 ENPP1 (0.86) ENPP1EGFRKDRHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 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-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI ENPP1 3780/4885EGFR 1257/4885KDR 2563/4885

“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.