SCHEMBL12200049

SCHEMBL12200049

O=C(NC1CCN(C(=O)c2ccccn2)CC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 7/20 0.50
PRKAB2 O43741 2/20 0.48
PRKAG1 P54619 2/20 0.48
PRKAA1 Q13131 2/20 0.48
PRKAG3 Q9UGI9 2/20 0.48
PRKAG2 Q9UGJ0 2/20 0.48
PRKAB1 Q9Y478 2/20 0.48
RBP4 P02753 1/20 0.47
KIT P10721 2/20 0.46
ABL1 P00519 1/20 0.46
GPR6 P46095 2/20 0.44
EPHX2 P34913 1/20 0.44
AR P10275 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
DDR1 Q08345 1/20 0.42
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL2389974 0.89 KIT (0.51) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2388843 0.87 HRH3 (0.49) ARHRH3
SCHEMBL2389914 0.86 PRKAA2 (0.51) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2388991 0.86 DRD4 (0.55) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4441001 0.85 HRH3 (0.48) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12200050 0.84 TEAD1 (0.48) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2390682 0.83 HRH3 (0.48) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2389244 0.82 GPR119 (0.50) HRH3
SCHEMBL12226803 0.81 UTS2R (0.49) GPR6ARHRH3
SCHEMBL2388674 0.81 DRD4 (0.59)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 PRKAA2 413/4885PRKAB2 541/4885PRKAG1 860/4885

“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.