SCHEMBL3522928

SCHEMBL3522928

[O]CCNCCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.59
HPGD P15428 1/20 0.53
DUSP3 P51452 1/20 0.53
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
KDM1A O60341 2/20 0.49
KEAP1 Q14145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL721355 0.90 PAOX (0.64) PAOXHPGDDUSP3GAALMNA
SCHEMBL3523671 0.88 KDM1A (0.46) PAOXHPGDDUSP3GAAKDM1A
Hydrochloric Acid SCHEMBL2488967 0.88 PAOX (0.62) PAOXHPGDDUSP3GAALMNA
SCHEMBL8306308 0.85 PAOX (0.51) PAOXHPGDDUSP3GAALMNA
SCHEMBL13376034 0.85 PAOX (0.55) PAOXHPGDDUSP3GAALMNA
SCHEMBL4398803 0.84 PAOX (0.62) PAOXHPGDDUSP3GAALMNA
SCHEMBL8310330 0.82 KEAP1 (0.67) PAOXHPGDDUSP3GAALMNA
SCHEMBL8309991 0.82 SCN5A (0.46) PAOXLMNAKDM1ASMN1; SMN2MAPK1
SCHEMBL8310328 0.81 PAOX (0.55) PAOXHPGDDUSP3GAALMNA
SCHEMBL3200520 0.81 PAOX (0.59) PAOXHPGDDUSP3GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659279-B2 2-{(2S)-2-[({4-[3-Chloro-4-fluoroanilino]-7-methoxyquinazolin-5-yl}oxy)methyl]pyrrolidin-1-yl}-2-oxoethanol; epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; breast, colorectal and head and neck cancer ASTRAZENECA AB (SE) 2010-02-09 US disclosed
EP-1622620-B1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-02-20 EP disclosed
US-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer ASTRAZENECA AB (SE) 2006-09-21 US disclosed
EP-1622620-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2006-02-08 EP disclosed
WO-2004096226-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-11-11 WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 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-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer EGFR, ERBB2, ERBB4 PAOX 3065/4885HPGD 1765/4885DUSP3 1718/4885

“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.