SCHEMBL5020463

SCHEMBL5020463

Cc1ccc(N2CCC(Oc3ccc4ncc(C(=O)NC5CCNCC5)cc4c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 13/20 0.55
PRKAA2 P54646 3/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44
FLT3 P36888 1/20 0.42
AR P10275 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
SCHEMBL63038 0.89 HPGDS (0.51) HPGDSPRKAA2HRH3SMYD3FLT3
SCHEMBL5020462 0.86 GPR119 (0.50) HPGDSPRKAA2
SCHEMBL5020461 0.83 PRKAA2 (0.59) PRKAA2
SCHEMBL12199810 0.81 FLT3 (0.41) HPGDSPRKAA2HRH3SMYD3FLT3
SCHEMBL14649234 0.81 MAOB (0.52) HPGDSPRKAA2SMYD3FLT3AR
SCHEMBL91106 0.81 HRH3 (0.51) HPGDSPRKAA2HRH3
SCHEMBL2696228 0.80 HPGDS (0.46) HPGDSPRKAA2HRH3
SCHEMBL13809383 0.79 SCN9A (0.42) HPGDSPRKAA2AR
SCHEMBL4405686 0.79 MAOB (0.43) HRH3SMYD3AR
SCHEMBL4405713 0.79 UTS2R (0.54)

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 HPGDS 3138/4885PRKAA2 3/4885HRH3 2573/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HPGDS 3138/4885PRKAA2 3/4885HRH3 2573/4885

“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.