SCHEMBL24469847

SCHEMBL24469847

CCn1ncc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
LRRK2 Q5S007 1/20 0.40
MPO P05164 1/20 0.39
NR3C1 P04150 1/20 0.34
XDH P47989 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
HTT P42858 1/20 0.33
CYP11B2 P19099 2/20 0.32
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
KMT2A Q03164 2/20 0.30
GRM2 Q14416 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
BCDIN3D Q7Z5W3 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
SCHEMBL16964268 0.80 MPO (0.39) CYP1A2LRRK2MPOXDHABL1
SCHEMBL14707646 0.78 MPO (0.46) CYP1A2LRRK2MPOHTTCYP11B2
SCHEMBL16458019 0.78 MPO (0.43) CYP1A2LRRK2MPOXDHHTT
SCHEMBL24977549 0.78 MPO (0.38) CYP1A2LRRK2MPOHTTCYP11B2
SCHEMBL31332918 0.77 CYP1A2 (0.38) CYP1A2LRRK2NR3C1HTTKMT2A
SCHEMBL31332962 0.76 CYP1A2 (0.37) CYP1A2LRRK2NR3C1HTTCYP11B2
SCHEMBL30134021 0.74 MPO (0.36) CYP1A2LRRK2MPOHTTKMT2A
SCHEMBL1195342 0.74 CYP11B2 (0.41) CYP1A2LRRK2MPOCYP11B2KMT2A
SCHEMBL6251041 0.73 POLB (0.53) HTTKMT2AMEN1
SCHEMBL24483790 0.72 CYP11B2 (0.45) CYP1A2LRRK2MPOCYP11B2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-20220169650-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-06-02 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-20220169650-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL CYP1A2 86/4885LRRK2 2475/4885MPO 890/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL CYP1A2 86/4885LRRK2 2475/4885MPO 890/4885

“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.