SCHEMBL2507541

SCHEMBL2507541

O=C(NC1CCNCC1)c1nc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.44
TEAD1 P28347 1/20 0.40
FLT3 P36888 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
PRKAA2 P54646 1/20 0.37
AR P10275 1/20 0.37
CETP P11597 2/20 0.37
UTS2R Q9UKP6 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
EPHX2 P34913 3/20 0.36
PDE4B Q07343 1/20 0.36
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL1081664 0.99 SCN9A (0.43) SCN9ATEAD1FLT3HDAC4HDAC6
SCHEMBL17722960 0.90 SLC6A5 (0.46) SCN9ATEAD1HDAC4HDAC6PRKAA2
SCHEMBL12199810 0.89 FLT3 (0.41) FLT3PRKAA2AR
SCHEMBL12226758 0.87 PRKAA2 (0.43) SCN9ATEAD1PRKAA2AREPHX2
SCHEMBL2504574 0.86 HDAC4 (0.46) HDAC4HDAC6PRKAA2
SCHEMBL2507265 0.86 AR (0.39) SCN9ATEAD1PRKAA2ARCETP
SCHEMBL647679 0.86 SLC6A4 (0.46) SCN9ATEAD1MAPKAPK2ARUTS2R
SCHEMBL2508924 0.86 DRD4 (0.46) TEAD1PRKAA2KCNH2
SCHEMBL2510792 0.86 PRKAA2 (0.50) TEAD1PRKAA2BCL9CTNNB1EPHX2
Hydrochloric Acid SCHEMBL648678 0.85 SLC6A4 (0.45) SCN9ATEAD1MAPKAPK2ARUTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928211-B Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-09-08 CN claimed
US-8785449-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-07-22 US claimed
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2013-01-24 US claimed
US-8314107-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US claimed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US claimed
CN-112079769-A Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-12-15 CN disclosed
CN-106928211-B Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-09-08 CN disclosed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9409884-B2 5- or 6-substituted benzofuran-2-carboxamide compounds and methods for using them RIGEL PHARMACEUTICALS, INC. (US) 2016-08-09 US disclosed
US-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-8314107-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-8314107-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-8314107-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US 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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 SCN9A 2808/4885TEAD1 3828/4885FLT3 1770/4885
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 SCN9A 3296/4885TEAD1 4104/4885FLT3 699/4885
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same PC, AK2, PRKAA2 SCN9A 3296/4885TEAD1 4104/4885FLT3 699/4885

“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.