SCHEMBL25939558

SCHEMBL25939558

CC(C)NCc1cccc(-c2c(F)c(F)c(-c3cc(C(=O)O)c4c(c3)ncn4C)c(F)c2F)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.59
MAP4K4 O95819 1/20 0.36
IKBKB O14920 3/20 0.35
CHUK O15111 3/20 0.35
CDK2 P24941 1/20 0.35
BTK Q06187 1/20 0.35
ITK Q08881 1/20 0.35
IKBKE Q14164 1/20 0.35
FFAR1 O14842 1/20 0.34
NMT1 P30419 1/20 0.34
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL25939579 0.90 DHODH (0.46) DHODHIKBKBCHUKCDK2BTK
SCHEMBL15973487 0.85 DHODH (0.59) DHODHMAP4K4NMT1
SCHEMBL25939563 0.83 DHODH (0.61) DHODH
SCHEMBL25939485 0.82 DHODH (0.55) DHODH
SCHEMBL25939555 0.81 DHODH (0.52) DHODH
SCHEMBL25939550 0.79 DHODH (0.51) DHODH
SCHEMBL17921463 0.74 DHODH (0.46) DHODHKDM4C
SCHEMBL21905230 0.74 DHODH (1.00) DHODH
SCHEMBL23645653 0.74 DHODH (0.61) DHODHFFAR1
SCHEMBL25939429 0.71 DHODH (0.46) DHODH

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-11717512-B2 Methods of use for trisubstituted benzotriazole derivatives SERVIER PHARMACEUTICALS LLC (US) 2023-08-08 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-11717512-B2 Methods of use for trisubstituted benzotriazole derivatives BRDT, BRPF3, BRD4 DHODH 441/4885MAP4K4 3999/4885IKBKB 1889/4885

“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.