SCHEMBL646755

SCHEMBL646755

O=C(NC1CCNCC1)c1ccnc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PAK1 Q13153 2/20 0.43
FLT3 P36888 1/20 0.42
SCN9A Q15858 2/20 0.42
WNT1 P04628 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
PRKAA2 P54646 1/20 0.40
SLC6A5 Q9Y345 2/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
PDE4B Q07343 1/20 0.39
MAOB P27338 1/20 0.39
DEGS1 O15121 1/20 0.39
DRD4 P21917 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL647123 0.85 DRD4 (0.53) PRKAA2SLC6A5DRD4
SCHEMBL649753 0.85 HDAC4 (0.49) MEN1KMT2AHDAC4HDAC6PRKAA2
SCHEMBL647932 0.83 DRD4 (0.53) PRKAA2SLC6A5DRD4
SCHEMBL12226803 0.83 UTS2R (0.49) PAK1FLT3HDAC4HDAC6BCL9
SCHEMBL1034212 0.83 SCN9A (0.48) PAK1SCN9APRKAA2DEGS1
SCHEMBL648343 0.83 PRKAA2 (0.52) PRKAA2SLC6A5DRD4
Hydrochloric Acid SCHEMBL1035162 0.82 SCN9A (0.47) PAK1SCN9APRKAA2DEGS1
SCHEMBL12226741 0.82 PRKAA2 (0.45) PAK1SCN9AGSK3BDYRK1AHDAC4
SCHEMBL12264406 0.82 PAK1 (0.45) MEN1KMT2APAK1FLT3SCN9A
SCHEMBL10112767 0.81 DRD4 (0.51) PRKAA2SLC6A5DRD4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US claimed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
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-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-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-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds MIDCAP FINANCIAL TRUST 2014-10-30 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-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-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 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 MEN1 4748/4885KMT2A 634/4885PAK1 4263/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 MEN1 4748/4885KMT2A 634/4885PAK1 4263/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 MEN1 4015/4885KMT2A 449/4885PAK1 40/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS MEN1 3859/4885KMT2A 1646/4885PAK1 2416/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 MEN1 2928/4885KMT2A 160/4885PAK1 71/4885

“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.