SCHEMBL25005993

SCHEMBL25005993

CC(C)[C@H]1C[C@@H]1c1ccc2nc(C(F)(F)F)sc2c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.34
SCN4A P35499 2/20 0.34
EPHX2 P34913 1/20 0.34
CYP2D6 P10635 1/20 0.34
GPR183 P32249 1/20 0.33
KCNH2 Q12809 1/20 0.33
DYRK1A Q13627 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ITK Q08881 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARA Q07869 1/20 0.30
EIF2AK3 Q9NZJ5 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
SCHEMBL23995357 0.82 P2RX3 (0.33) ACACBSCN4ANPC1RAB9ASMN1; SMN2
SCHEMBL25004973 0.81 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL25005274 0.80 HTR2C (0.34) ACACBSCN4AEPHX2CYP2D6GPR183
SCHEMBL23994238 0.74 SNCA (0.32) SCN4AEPHX2CYP2D6GPR183KCNH2
SCHEMBL25005865 0.74 SNCA (0.32) SCN4AEPHX2CYP2D6GPR183KCNH2
SCHEMBL25004337 0.74 TLR7 (0.33)
SCHEMBL17050421 0.72 RAB9A (0.59) SCN4AEPHX2GPR183KCNH2DYRK1A
SCHEMBL23993216 0.71 SLC6A2 (0.43) DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL25004754 0.70 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17547128 0.70 RAB9A (0.56) SCN4AEPHX2DYRK1ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E ACACB 2113/4885SCN4A 2524/4885EPHX2 985/4885

“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.