SCHEMBL4408273

SCHEMBL4408273

Cc1ccc(N2CCC(Oc3ccc4c(Cl)c(C(=O)NC5CCN(Cc6ccc(C#N)cc6)CC5)sc4c3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
PRKAA2 P54646 14/20 0.50
PRKAB2 O43741 4/20 0.49
PRKAG1 P54619 4/20 0.49
PRKAA1 Q13131 4/20 0.49
PRKAG3 Q9UGI9 4/20 0.49
PRKAG2 Q9UGJ0 4/20 0.49
PRKAB1 Q9Y478 4/20 0.49
CYP3A4 P08684 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
AR P10275 1/20 0.43
UTS2R Q9UKP6 2/20 0.42

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
SCHEMBL648365 0.91 PRKAA2 (0.48) MAOAMAOBPRKAA2PRKAB2PRKAG1
SCHEMBL4403523 0.90 NPC1 (0.50) MAOAMAOBPRKAA2NPC1RAB9A
SCHEMBL4403526 0.86 HPGD (0.48) MAOAMAOBPRKAA2CYP3A4NPC1
SCHEMBL4402669 0.86 UTS2R (0.58) MAOAMAOBPRKAA2PRKAB2PRKAG1
SCHEMBL12199859 0.84 PRKAA2 (0.52) MAOAMAOBPRKAA2PRKAB2PRKAG1
SCHEMBL4408271 0.84 NPC1 (0.56) NPC1RAB9AAR
SCHEMBL4405715 0.84 RAB9A (0.47) NPC1RAB9A
SCHEMBL648784 0.81 SLC6A5 (0.45) NPC1RAB9AUTS2R
SCHEMBL4408243 0.81 MAOA (0.55) MAOAMAOBPRKAA2PRKAB2PRKAG1
SCHEMBL4408267 0.80 NPC1 (0.51) NPC1RAB9A

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 10 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-9174964-B2 AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same RIGEL PHARMACEUTICALS, INC. (US) 2015-11-03 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-8796254-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-20 US disclosed
US-8569340-B2 AMPK-activating piperidinyloxypyiridine carboxamide and sulfonamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-10 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 (5 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-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 MAOA 444/4885MAOB 441/4885PRKAA2 413/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 MAOA 1999/4885MAOB 3141/4885PRKAA2 2/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 MAOA 1999/4885MAOB 3141/4885PRKAA2 2/4885
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.