SCHEMBL1469593

SCHEMBL1469593

CC(=O)Oc1cc(N)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.59
ALDH1A1 P00352 3/20 0.49
CASP1 P29466 2/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.45
CYP19A1 P11511 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CFD P00746 1/20 0.41
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
NR3C1 P04150 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4520980 0.85 ACHE (0.46) ACHEALDH1A1CASP1TSHRHTT
SCHEMBL6247630 0.84 TSHR (0.58) ALDH1A1TSHRCYP19A1KDM4EGAA
SCHEMBL24074071 0.83 ALDH1A1 (0.51) ACHEALDH1A1TSHRCYP19A1KDM4E
SCHEMBL26944947 0.82 ALDH1A1 (0.46) ACHEALDH1A1TSHRHTTCYP19A1
SCHEMBL3245649 0.82 PIM1 (0.47) ALDH1A1CASP1TSHRCYP19A1KDM4E
SCHEMBL4017962 0.81 ALDH1A1 (0.50) ACHEALDH1A1CASP1TSHRHTT
SCHEMBL4737527 0.81 ALDH1A1 (0.69) ALDH1A1CASP1TSHRCYP19A1KDM4E
Hydrochloric Acid SCHEMBL27295009 0.81 PIM1 (0.46) ACHEALDH1A1CASP1TSHRCYP19A1
SCHEMBL27631947 0.80 ALDH1A1 (0.45) ACHEALDH1A1CASP1TSHRKDM4E
SCHEMBL3324155 0.80 ACHE (0.62) ACHEALDH1A1TSHRHTTKDM4E

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42353-E1 Quinazoline derivatives and pharmaceutical compositions containing them ASTRAZENECA UK LIMITED (GB) 2011-05-10 US disclosed
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 2011-03-24 US disclosed
US-20050239777-A1 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA PHARMA S.A. (FR) 2005-10-27 US disclosed
EP-0929526-B1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-6897210-B2 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 2005-05-24 US disclosed
US-20040242574-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED 2004-12-02 US disclosed
US-6809097-B1 ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY ZENECA LIMITED (GB) 2004-10-26 US disclosed
CN-1142920-C Quinazoline derivatives and pharmaceutical compositions containing them 2004-03-24 CN disclosed
US-6673803-B2 FOR TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS; ACTIVITY AGAINST EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE ZENECA LIMITED (GB) 2004-01-06 US disclosed
US-20020173646-A1 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED 2002-11-21 US disclosed
CN-1231662-A Quinazoline derivatives and pharmaceutical compositions containing them ZENNECA LTD (GB) 1999-10-13 CN disclosed
US-5962458-A ANGIOGENESIS INHIBITORS, ANTICANCER AGENTS, ANTIDIABETIC AGENTS, SKIN DISORDERS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, VISION DEFECTS ZENECA LIMITED (GB) 1999-10-05 US disclosed
EP-0929530-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1999-07-21 EP disclosed
EP-0929526-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1999-07-21 EP disclosed
EP-0885198-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-12-23 EP disclosed
EP-0873319-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-10-28 EP disclosed
WO-1998013354-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-04-02 WO disclosed
WO-1998013350-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1998-04-02 WO disclosed
WO-1997032856-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-12 WO disclosed
WO-1997022596-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-06-26 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 (4 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-20040242574-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, FLT1, NR5A1 ACHE 4222/4885ALDH1A1 2260/4885CASP1 533/4885
US-20020173646-A1 Quinazoline derivatives and pharmaceutical compositions containing them CNKSR1, FLT1, VEGFA ACHE 4007/4885ALDH1A1 2349/4885CASP1 666/4885
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NR5A1, NR5A2, CNKSR1 ACHE 3926/4885ALDH1A1 2757/4885CASP1 2524/4885
US-20050239777-A1 Quinazoline derivatives and pharmaceutical compositions containing them NR5A1, NR5A2, CNKSR1 ACHE 3926/4885ALDH1A1 2757/4885CASP1 2524/4885

“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.