SCHEMBL1034060

SCHEMBL1034060

NC(=O)c1ccc(CN2CC3CC2CN3C(=O)c2nc3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
PRKAA2 P54646 2/20 0.39
CHEK2 O96017 3/20 0.35
SCN9A Q15858 3/20 0.34
MAPT P10636 1/20 0.34
PIK3CA P42336 1/20 0.34
FFAR1 O14842 1/20 0.33
KCNH2 Q12809 2/20 0.33
OPRK1 P41145 2/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
HRH1 P35367 1/20 0.33
CCR3 P51677 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MAOB P27338 1/20 0.33
LTA4H P09960 1/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32

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
SCHEMBL2505967 0.92 ADRB2 (0.36) ADRB2PRKAA2MAPTPIK3CAFFAR1
SCHEMBL12199824 0.91 OPRK1 (0.40) CHEK2KCNH2OPRK1HRH1CCR3
SCHEMBL1036731 0.90 MAOA (0.39) ADRB2PRKAA2MAOB
SCHEMBL2510786 0.85 PRKAA2 (0.41) ADRB2PRKAA2SCN9AFFAR1LPL
SCHEMBL1037082 0.85 ADRB2 (0.37) ADRB2PRKAA2SCN9AMAPTPIK3CA
SCHEMBL12199820 0.84 LTA4H (0.38) KCNH2OPRK1HRH1CCR3MAOB
SCHEMBL2507192 0.83 CETP (0.41) ADRB2PRKAA2KCNH2
SCHEMBL12199829 0.81 MAOA (0.44) PRKAA2MAOB
SCHEMBL12199849 0.77 PRKAA2 (0.37) PRKAA2MAPTFFAR1HRH1
SCHEMBL12199833 0.76 ALDH1A1 (0.38) MAPTPIK3CAHRH1MAOB

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 38 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-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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
EP-2276761-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2011-01-26 EP 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
WO-2009132136-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-10-29 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 (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 ADRB2 1500/4885PRKAA2 413/4885CHEK2 2114/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 ADRB2 1662/4885PRKAA2 3/4885CHEK2 499/4885
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 ADRB2 1662/4885PRKAA2 3/4885CHEK2 499/4885
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same PC, AK2, PRKAA2 ADRB2 1662/4885PRKAA2 3/4885CHEK2 499/4885

“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.