SCHEMBL1468073

SCHEMBL1468073

[CH2]CNC(=O)OCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 6/20 0.47
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 3/20 0.38
ALOX15 P16050 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
MAOB P27338 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1467635 0.83 SMN1; SMN2 (0.49) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL7876884 0.80 LMNA (0.51) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL965401 0.80 SMN1; SMN2 (0.73) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL4611409 0.80 SMN1; SMN2 (0.53) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL603784 0.80 SMN1; SMN2 (0.53) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL603785 0.80 SMN1; SMN2 (0.53) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL13741317 0.78 SMN1; SMN2 (0.51) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
Ammonia Solution, Strong SCHEMBL9998724 0.78 SMN1; SMN2 (0.51) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL11395168 0.78 SMN1; SMN2 (0.51) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL24131737 0.78 TSHR (0.52) SMN1; SMN2TSHRALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066662-B1 SERINE HYDROLASE INHIBITORS KYORIN SEIYAKU KK (JP) 2012-12-05 EP claimed
US-RE42353-E1 Quinazoline derivatives and pharmaceutical compositions containing them ASTRAZENECA UK LIMITED (GB) 2011-05-10 US claimed
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 2011-03-24 US claimed
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 claimed
JP-3438818-B2 2003-08-18 JP claimed
US-20020173646-A1 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED 2002-11-21 US claimed
EP-0929530-B1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2002-11-20 EP claimed
US-6414148-B1 PRODUCE ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT IN WARM-BLOODED ANIMALS ZENECA LIMITED (GB) 2002-07-02 US claimed
JP-2001500891-A 2001-01-23 JP claimed
EP-0929530-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1999-07-21 EP claimed
WO-1998013354-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-04-02 WO claimed
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
US-6897210-B2 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 2005-05-24 US disclosed
US-5236921-A Administrering for treatment of neutrogenic inflammation of the respiratory trart SANOFI (FR) 1993-08-17 US disclosed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP 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 (3 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-20020173646-A1 Quinazoline derivatives and pharmaceutical compositions containing them CNKSR1, FLT1, VEGFA SMN1; SMN2 3315/4885TSHR 307/4885ALDH1A1 2349/4885
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NR5A1, NR5A2, CNKSR1 SMN1; SMN2 3828/4885TSHR 182/4885ALDH1A1 2757/4885
US-20050239777-A1 Quinazoline derivatives and pharmaceutical compositions containing them NR5A1, NR5A2, CNKSR1 SMN1; SMN2 3828/4885TSHR 182/4885ALDH1A1 2757/4885

“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.