SCHEMBL20047735

SCHEMBL20047735

CC(C)(C)c1ccn2nc(C(C)(C)N)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.38
CSNK1A1 P48729 2/20 0.36
AURKA O14965 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
LTK P29376 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
CDK5 Q00535 1/20 0.36
ACVR1 Q04771 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PIK3CG P48736 5/20 0.33
PIK3CD O00329 4/20 0.33
PAK4 O96013 1/20 0.33
JAK1 P23458 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33

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 0.91 KDM4E (0.46) KDM4EPOLBCSNK1A1AURKACSF1R
SCHEMBL20047674 0.79 KDM4E (0.54) KDM4EPOLBCSNK1A1AURKACSF1R
SCHEMBL20048908 0.77 CSNK1A1 (0.45) KDM4EPOLBCSNK1A1AURKACSF1R
SCHEMBL20047533 0.77 KDM4E (0.37) KDM4ECSNK1A1PIK3CGPIK3CDPAK4
SCHEMBL23502432 0.75 KDM4E (0.40) KDM4ECSNK1A1PIK3CGPIK3CDPAK4
SCHEMBL21161035 0.73 POLB (0.35) KDM4EPOLBCSNK1A1AURKACSF1R
SCHEMBL20047722 0.72 KDM4E (0.34) KDM4EPOLB
SCHEMBL6370773 0.68 DYRK1A (0.44) KDM4EPIK3CD
SCHEMBL12604058 0.67 KDM4E (0.33) KDM4E
SCHEMBL19171675 0.66 JAK2 (0.33) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 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-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 (3 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 4232/4885POLB 3719/4885CSNK1A1 1855/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 KDM4E 4232/4885POLB 3719/4885CSNK1A1 1855/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 KDM4E 4232/4885POLB 3719/4885CSNK1A1 1855/4885

“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.