SCHEMBL12199813

SCHEMBL12199813

Cc1ccc(N2CCC(Oc3ccc4nc(C(=O)NC5CCN(C(=O)c6ccc(C#N)cc6)CC5)oc4c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 15/20 0.55
PRKAB2 O43741 5/20 0.48
PRKAG1 P54619 5/20 0.48
PRKAA1 Q13131 5/20 0.48
PRKAG3 Q9UGI9 5/20 0.48
PRKAG2 Q9UGJ0 5/20 0.48
PRKAB1 Q9Y478 5/20 0.48
CYP3A4 P08684 1/20 0.48
AR P10275 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
FASN P49327 2/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL2507385 0.91 PRKAA2 (0.55) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12199809 0.91 PRKAA2 (0.52) PRKAA2
SCHEMBL12199818 0.90 PRKAA2 (0.43) PRKAA2AR
SCHEMBL12199800 0.88 MAOA (0.53) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12199810 0.84 FLT3 (0.41) PRKAA2AR
SCHEMBL12199795 0.83 GPR119 (0.50)
SCHEMBL12199842 0.83 PRKAA2 (0.39) PRKAA2ARFASNKDM1A
SCHEMBL2510792 0.82 PRKAA2 (0.50) PRKAA2
SCHEMBL12226758 0.82 PRKAA2 (0.43) PRKAA2CYP3A4AR
SCHEMBL2503938 0.79 PRKAA2 (0.50) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20150232451-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2015-08-20 US disclosed
US-9062052-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2015-01-08 US disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds MIDCAP FINANCIAL TRUST 2014-10-30 US disclosed
US-8871770-B2 Carboxamide compounds and methods for using the same MIDCAP FINANCIAL TRUST 2014-10-28 US disclosed
US-8796254-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8785449-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20140148467-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2014-05-29 US disclosed
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2013-01-24 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 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 (8 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 413/4885PRKAB2 541/4885PRKAG1 860/4885
US-20140148467-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885PRKAB2 8/4885PRKAG1 6/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 PRKAA2 413/4885PRKAB2 541/4885PRKAG1 860/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885PRKAB2 8/4885PRKAG1 6/4885
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885PRKAB2 8/4885PRKAG1 6/4885
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885PRKAB2 8/4885PRKAG1 6/4885
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885PRKAB2 8/4885PRKAG1 6/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS PRKAA2 356/4885PRKAB2 590/4885PRKAG1 704/4885

“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.