SCHEMBL12199800

SCHEMBL12199800

Cc1ccc(N2CCC(Oc3ccc4nc(C(=O)NC5CCN(Cc6ccc(C#N)cc6)CC5)oc4c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
PRKAA2 P54646 16/20 0.52
PRKAB2 O43741 6/20 0.51
PRKAG1 P54619 6/20 0.51
PRKAA1 Q13131 6/20 0.51
PRKAG3 Q9UGI9 6/20 0.51
PRKAG2 Q9UGJ0 6/20 0.51
PRKAB1 Q9Y478 6/20 0.51
CYP3A4 P08684 1/20 0.51
SCN9A Q15858 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL2503938 0.91 PRKAA2 (0.50) MAOAMAOBPRKAA2PRKAB2PRKAG1
SCHEMBL12199804 0.90 DRD4 (0.44) MAOAMAOBPRKAA2DRD4
SCHEMBL4408243 0.88 MAOA (0.55) MAOAMAOBPRKAA2PRKAB2PRKAG1
SCHEMBL12199813 0.88 PRKAA2 (0.55) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL5020461 0.84 PRKAA2 (0.59) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12199859 0.84 PRKAA2 (0.52) MAOAMAOBPRKAA2PRKAB2PRKAG1
SCHEMBL12199810 0.83 FLT3 (0.41) MAOAMAOBPRKAA2
SCHEMBL10126949 0.82 PRKAA2 (0.53) MAOAMAOBPRKAA2PRKAB2PRKAG1
SCHEMBL2508924 0.81 DRD4 (0.46) PRKAA2DRD4
SCHEMBL4402669 0.81 UTS2R (0.58) MAOAMAOBPRKAA2PRKAB2PRKAG1

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 MAOA 444/4885MAOB 441/4885PRKAA2 413/4885
US-20140148467-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 MAOA 2092/4885MAOB 2083/4885PRKAA2 3/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 MAOA 444/4885MAOB 441/4885PRKAA2 413/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 MAOA 2092/4885MAOB 2083/4885PRKAA2 3/4885
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 MAOA 2092/4885MAOB 2083/4885PRKAA2 3/4885
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 MAOA 2092/4885MAOB 2083/4885PRKAA2 3/4885
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 MAOA 2092/4885MAOB 2083/4885PRKAA2 3/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS MAOA 564/4885MAOB 821/4885PRKAA2 356/4885

“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.