SCHEMBL2510786

SCHEMBL2510786

O=C(c1ccc(F)cc1)N1CC2CC1CN2C(=O)c1nc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2o1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.41
LIPG Q9Y5X9 6/20 0.41
LIPC P11150 1/20 0.41
FFAR1 O14842 1/20 0.39
ADRB2 P07550 1/20 0.37
SCN9A Q15858 1/20 0.36
HSD11B1 P28845 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LPL P06858 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL1037082 0.93 ADRB2 (0.37) PRKAA2LIPGLIPCFFAR1ADRB2
SCHEMBL2507192 0.91 CETP (0.41) PRKAA2ADRB2HRH3EPHX2
SCHEMBL12199849 0.91 PRKAA2 (0.37) PRKAA2FFAR1HRH1HRH3
SCHEMBL1034060 0.85 ADRB2 (0.39) PRKAA2LIPGFFAR1ADRB2SCN9A
SCHEMBL2505967 0.85 ADRB2 (0.36) PRKAA2LIPGFFAR1ADRB2LPL
SCHEMBL12199833 0.84 ALDH1A1 (0.38) HRH1HRH3
SCHEMBL2510792 0.82 PRKAA2 (0.50) PRKAA2LIPGLIPCADRB2HSD11B1
SCHEMBL1036731 0.82 MAOA (0.39) PRKAA2ADRB2EPHX2
SCHEMBL12199842 0.81 PRKAA2 (0.39) PRKAA2HRH3
SCHEMBL12226758 0.76 PRKAA2 (0.43) PRKAA2ADRB2SCN9AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US claimed
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-20160122321-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2016-05-05 US disclosed
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2016-05-05 US disclosed
US-9255085-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2013-01-24 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 (4 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 PRKAA2 413/4885LIPG 1902/4885LIPC 1054/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885LIPG 2812/4885LIPC 998/4885
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885LIPG 2812/4885LIPC 998/4885
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same PC, AK2, PRKAA2 PRKAA2 3/4885LIPG 2812/4885LIPC 998/4885

“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.