SCHEMBL4403523

SCHEMBL4403523

Cc1ccc(N2CCC(Oc3ccc4c(Cl)c(C(=O)NC5CCN(Cc6ccncc6)CC5)sc4c3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43
PRKAA2 P54646 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
DRD4 P21917 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PDK1 Q15118 1/20 0.41
MAPT P10636 2/20 0.41
PPP1CA P62136 1/20 0.40
MCHR1 Q99705 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HPGD P15428 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
SCHEMBL4403526 0.93 HPGD (0.48) NPC1RAB9AKITFLT3PRKAA2
SCHEMBL648784 0.91 SLC6A5 (0.45) NPC1RAB9AKITFLT3DRD4
SCHEMBL4408273 0.90 MAOA (0.51) NPC1RAB9APRKAA2MAOAMAOB
SCHEMBL4401683 0.90 NPC1 (0.50) NPC1RAB9APRKAA2GAAKMT2A
SCHEMBL4405715 0.89 RAB9A (0.47) NPC1RAB9ADRD4KMT2A
SCHEMBL647860 0.85 SLC6A5 (0.55) KITFLT3DRD4MCHR1HPGD
SCHEMBL4408271 0.85 NPC1 (0.56) NPC1RAB9AGAAMAPTHRH3
SCHEMBL4403508 0.85 UTS2R (0.54) PRKAA2DRD4
SCHEMBL12199847 0.84 MAOB (0.47) KITFLT3PRKAA2MAOAMAOB
SCHEMBL4403534 0.84 UTS2R (0.54) PRKAA2DRD4

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 NPC1 4121/4885RAB9A 4168/4885KIT 3721/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 NPC1 4121/4885RAB9A 4168/4885KIT 3721/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 NPC1 3134/4885RAB9A 1773/4885KIT 1601/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 NPC1 3134/4885RAB9A 1773/4885KIT 1601/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS NPC1 1669/4885RAB9A 4320/4885KIT 3132/4885

“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.