SCHEMBL20047533

SCHEMBL20047533

CC(C)c1cc2nc(C(C)(C)C)ccn2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
AHR P35869 1/20 0.31
PIK3CD O00329 2/20 0.31
PIK3CG P48736 2/20 0.31
PAK4 O96013 1/20 0.31
JAK1 P23458 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
CSNK1A1 P48729 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31
CSNK1G1 Q9HCP0 1/20 0.31
HMGCR P04035 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL20043180 0.84 KDM4E (0.46) KDM4EAHRPIK3CDPIK3CGPAK4
SCHEMBL21161035 0.83 POLB (0.35) KDM4EAHRPIK3CDPIK3CGPAK4
SCHEMBL798496 0.80 AHR (0.35) KDM4EAHRPIK3CDPIK3CGPDE10A
SCHEMBL20047674 0.79 KDM4E (0.54) KDM4EAHRPIK3CDPIK3CGPAK4
SCHEMBL21097673 0.77 KDM4E (0.36) KDM4EAHRPIK3CDPIK3CGPDE10A
SCHEMBL20047735 0.77 KDM4E (0.44) KDM4EAHRPIK3CDPIK3CGPAK4
SCHEMBL21929854 0.76 AHR (0.33) KDM4EAHRPDE10A
SCHEMBL23502432 0.75 KDM4E (0.40) KDM4EAHRPIK3CDPIK3CGPAK4
SCHEMBL26128493 0.75 CCR1 (0.32) AHR
SCHEMBL18806166 0.73 AHR (0.33) KDM4EAHRPIK3CDPIK3CGPDE10A

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-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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 (4 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 KDM4E 4232/4885AHR 1044/4885PIK3CD 3483/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 KDM4E 4232/4885AHR 1044/4885PIK3CD 3483/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 KDM4E 4346/4885AHR 833/4885PIK3CD 3333/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 KDM4E 4346/4885AHR 833/4885PIK3CD 3333/4885

“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.