SCHEMBL2489147

SCHEMBL2489147

Cc1ccc(S(=O)(=O)OCCCN2CCN(C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
MBTD1 Q05BQ5 1/20 0.48
CYP2D6 P10635 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP24A1 Q07973 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
HTR1A P08908 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR6 P50406 1/20 0.43
DRD3 P35462 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL10039971 0.91 CYP2D6 (0.49) L3MBTL1MBTD1CYP2D6KMT2AMEN1
SCHEMBL2490457 0.88 L3MBTL1 (0.58) L3MBTL1MBTD1KMT2AMEN1ALDH1A1
SCHEMBL4541122 0.87 MEN1 (0.49) L3MBTL1MBTD1CYP2D6KMT2AMEN1
Hydrochloric Acid SCHEMBL9449150 0.87 L3MBTL1 (0.57) L3MBTL1MBTD1KMT2AMEN1ALDH1A1
SCHEMBL3975042 0.86 L3MBTL1 (0.49) L3MBTL1MBTD1CYP2D6ALDH1A1CYP1A2
SCHEMBL26655201 0.86 KDM4E (0.53) L3MBTL1MBTD1KMT2AMEN1ALDH1A1
SCHEMBL2489249 0.86 HRH3 (0.56) CYP2D6KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL19565702 0.84 HTR1A (0.64) CYP2D6HTR1ADRD3
SCHEMBL9162804 0.83 L3MBTL1 (0.56) L3MBTL1MBTD1HRH3KDM4E
SCHEMBL483847 0.81 ALDH1A1 (0.50) CYP2D6KMT2AALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
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
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP disclosed
US-7223756-B2 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2007-05-29 US disclosed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
US-7157467-B2 Administering compound such as 6-methoxy-4-(2,3-methylenedioxyanilino)-7-(3-morpholinopropoxy)quinazoline for therapy of an autoimmune disease or medical condition selected from transplant rejection and rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-02 US disclosed
EP-1326860-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
WO-2003045943-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO disclosed
WO-2002092579-A1 4-ANILINOQUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO disclosed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO disclosed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 L3MBTL1 3839/4885MBTD1 2718/4885CYP2D6 24/4885

“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.