SCHEMBL3910271

SCHEMBL3910271

[NH]S(=O)(=O)CCCN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTR7 P34969 1/20 0.37
LOX P28300 1/20 0.36
ALOX15 P16050 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36

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
SCHEMBL3219498 0.98 HRH3 (0.48) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2
SCHEMBL3218436 0.84 HRH3 (0.40) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3903911 0.81 PAOX (0.44) ALDH1A1MAPTTSHRHTR7
SCHEMBL3900752 0.79 CXCR4 (0.47) HRH3SMN1; SMN2ALDH1A1POLBLOX
SCHEMBL1446166 0.79 KEAP1 (0.50) HRH3SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL4188473 0.78 HRH3 (0.52) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2
SCHEMBL916959 0.78 HRH3 (0.52) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2
SCHEMBL3910278 0.78 HRH3 (0.52) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2
Hydrochloric Acid SCHEMBL6619251 0.77 HRH3 (0.50) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2
SCHEMBL8812204 0.76 HRH3 (0.48) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306126-A1 Indole Derivatives ASTRAZENECA AB (SE) 2009-12-10 US claimed
US-20090118336-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US claimed
EP-2016068-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2009-01-21 EP claimed
WO-2007129052-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-20090306126-A1 Indole Derivatives ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090118336-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-20090076009-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-2029593-A1 INDOLE DERIVATIVES AstraZeneca AB (SE) 2009-03-04 EP disclosed
EP-2016068-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2009-01-21 EP disclosed
EP-2016075-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2009-01-21 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
WO-2007135398-A1 INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2007-11-29 WO disclosed
WO-2007129044-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
WO-2007129052-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 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 (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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 HRH3 3420/4885CYP1A2 2785/4885MAPK1 72/4885
US-20090076009-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS MTOR, RPTOR, JAK2 HRH3 2978/4885CYP1A2 1914/4885MAPK1 106/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 HRH3 3008/4885CYP1A2 3589/4885MAPK1 221/4885
US-20090306126-A1 Indole Derivatives MTOR, IDO1, AKT1S1 HRH3 1126/4885CYP1A2 287/4885MAPK1 76/4885
US-20090118336-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MTOR, RICTOR, PIK3R5 HRH3 2059/4885CYP1A2 357/4885MAPK1 76/4885

“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.