SCHEMBL25005274

SCHEMBL25005274

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.34
HTR2A P28223 4/20 0.34
HTR2B P41595 4/20 0.34
EPHX2 P34913 1/20 0.34
SCN4A P35499 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A4 P31645 4/20 0.33
GPR183 P32249 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACACB O00763 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
DYRK1A Q13627 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CSNK1D P48730 2/20 0.31
ITK Q08881 1/20 0.31

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
SCHEMBL23995358 0.81 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2CHRNB2CHRNA4
SCHEMBL25005993 0.80 ACACB (0.34) EPHX2SCN4ACYP2D6GPR183KCNH2
SCHEMBL25005865 0.74 SNCA (0.32) EPHX2SCN4ACYP2D6GPR183KCNH2
SCHEMBL23994238 0.74 SNCA (0.32) EPHX2SCN4ACYP2D6GPR183KCNH2
SCHEMBL25004989 0.74 HTR2C (0.40) HTR2CHTR2AHTR2BSLC6A4SLC6A2
SCHEMBL25113786 0.72 RAB9A (0.59) EPHX2SCN4AKCNH2SLC6A2SLC6A3
SCHEMBL23995385 0.71 SLC6A4 (0.43) HTR2CHTR2AHTR2BSLC6A4SLC6A2
SCHEMBL17547128 0.70 RAB9A (0.56) EPHX2SCN4ADYRK1ANPC1RAB9A
SCHEMBL30971432 0.69 RAB9A (0.41) EPHX2SCN4AGPR183KCNH2SLC6A2
SCHEMBL23995528 0.68 HTR2C (0.47) HTR2CHTR2AHTR2BSLC6A4SLC6A2

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 HTR2C 1699/4885HTR2A 1593/4885HTR2B 2352/4885

“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.