SCHEMBL5020462

SCHEMBL5020462

Cc1ccc(N2CCC(Oc3ccc4ncc(C(=O)NC5CCN(C(=O)OC(C)(C)C)CC5)cc4c3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.50
▸ HPGDS O60760 5/20 0.47
▸ PRKAA2 P54646 4/20 0.47
▸ LMNA P02545 1/20 0.46
▸ NPBWR1 P48145 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL61833 0.92 HDAC4 (0.49) GPR119HPGDSPRKAA2CHEK2HDAC4
SCHEMBL5020463 0.86 HPGDS (0.55) HPGDSPRKAA2
SCHEMBL12199848 0.83 GPR119 (0.50) GPR119LMNANPBWR1MCHR1CHEK2
SCHEMBL12199795 0.83 GPR119 (0.50) GPR119LMNANPBWR1MCHR1CHEK2
SCHEMBL4403520 0.81 GPR119 (0.52) GPR119LMNANPBWR1MCHR1MEN1
SCHEMBL16194601 0.81 PRKAA2 (0.48) HPGDSPRKAA2
SCHEMBL4405719 0.81 GPR119 (0.52) GPR119LMNANPBWR1MCHR1MEN1
SCHEMBL2696228 0.81 HPGDS (0.46) HPGDSPRKAA2
SCHEMBL4408236 0.80 GPR119 (0.52) GPR119LMNANPBWR1MCHR1MEN1
SCHEMBL61133 0.80 HDAC4 (0.53) HPGDSHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895578-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-11-25 — — US disclosed
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-13 — — US disclosed
US-8557822-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 — — US disclosed
US-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-03 — — 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 (2 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-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 GPR119 35/4885HPGDS 3138/4885PRKAA2 3/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 GPR119 35/4885HPGDS 3138/4885PRKAA2 3/4885

“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.

Send feedback