SCHEMBL1097459

SCHEMBL1097459

O=S1(=O)CCN(CCCO)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.35
PAOX Q6QHF9 1/20 0.34
CNR2 P34972 1/20 0.34
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PIM1 P11309 1/20 0.31
HTR5A P47898 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2850740 0.93 PAOX (0.37) KMT2AMEN1HPGDPAOXCNR2
SCHEMBL12550637 0.91 PAOX (0.40) KMT2AMEN1HPGDPAOXCNR2
SCHEMBL12550633 0.91 PAOX (0.40) KMT2AMEN1HPGDPAOXCNR2
SCHEMBL12550634 0.91 PAOX (0.40) KMT2AMEN1HPGDPAOXCNR2
SCHEMBL898008 0.86 ALDH1A1 (0.43) KMT2AMEN1CYP1A2ALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL5889035 0.84 ALDH1A1 (0.41) KMT2AMEN1CYP1A2ALDH1A1CYP2C19
SCHEMBL1097457 0.79 KMT2A (0.37) KMT2AMEN1HPGDPAOXCNR2
SCHEMBL2257866 0.79 HRH3 (0.33) KMT2AMEN1PAOXCYP1A2ALDH1A1
SCHEMBL17556136 0.77 KMT2A (0.36) KMT2AMEN1HPGDPAOXCNR2
SCHEMBL1098265 0.77 KEAP1 (0.50) KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP claimed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP claimed
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US claimed
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 US claimed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US claimed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US claimed
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP claimed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US claimed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US claimed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO claimed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP claimed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO claimed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO claimed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 WO claimed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090076075-A1 QUINOLINE DERIVATIVES RECQL, NQO2, NRAS KMT2A 1423/4885MEN1 514/4885HPGD 1289/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 KMT2A 3566/4885MEN1 662/4885HPGD 706/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 KMT2A 2030/4885MEN1 581/4885HPGD 1385/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 KMT2A 1159/4885MEN1 616/4885HPGD 1152/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 KMT2A 2030/4885MEN1 2031/4885HPGD 308/4885

“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.