SCHEMBL12199829

SCHEMBL12199829

Cc1ccc(N2CCC(Oc3ccc4nc(C(=O)N5CC6CC5CN6Cc5ccc(C#N)cc5)oc4c3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
PRKAA2 P54646 7/20 0.36
MLNR O43193 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
ALOX5AP P20292 2/20 0.35
PRKAB2 O43741 3/20 0.34
PRKAG1 P54619 3/20 0.34
PRKAA1 Q13131 3/20 0.34
PRKAG3 Q9UGI9 3/20 0.34
PRKAG2 Q9UGJ0 3/20 0.34
PRKAB1 Q9Y478 3/20 0.34
CYP3A4 P08684 1/20 0.34
ACACA Q13085 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FPR2 P25090 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33

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
SCHEMBL1036731 0.91 MAOA (0.39) MAOAMAOBPRKAA2MLNRGPR119
SCHEMBL12199820 0.90 LTA4H (0.38) MAOAMAOBACACA
SCHEMBL12199842 0.90 PRKAA2 (0.39) MAOAMAOBPRKAA2GPR119ACACA
SCHEMBL12199824 0.90 OPRK1 (0.40) MAOAMAOBKDM2B
SCHEMBL2505967 0.82 ADRB2 (0.36) PRKAA2
SCHEMBL2507192 0.81 CETP (0.41) PRKAA2CYP3A4HRH3FPR2GPBAR1
SCHEMBL12199833 0.81 ALDH1A1 (0.38) MAOAMAOBACACAHRH3
SCHEMBL1034060 0.81 ADRB2 (0.39) MAOBPRKAA2
SCHEMBL12199849 0.81 PRKAA2 (0.37) PRKAA2HRH3
SCHEMBL12199800 0.80 MAOA (0.53) 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.