SCHEMBL25939485

SCHEMBL25939485

Cn1cnc2cc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)cc(C(=O)O)c21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.55
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DHFR P00374 2/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
TGFBR1 P36897 1/20 0.36

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
SCHEMBL25939429 0.85 DHODH (0.46) DHODHDPP4DPP8DHFRAKR1C2
SCHEMBL25939579 0.84 DHODH (0.46) DHODH
SCHEMBL25939558 0.82 DHODH (0.59) DHODH
SCHEMBL25939555 0.81 DHODH (0.52) DHODH
SCHEMBL25939563 0.81 DHODH (0.61) DHODH
SCHEMBL15973888 0.80 DHODH (0.55) DHODHDHFRAKR1C2AKR1C1TOP2A
SCHEMBL25939550 0.80 DHODH (0.51) DHODH
SCHEMBL15973479 0.76 DHODH (0.56) DHODHDHFR
SCHEMBL25939422 0.76 MCL1 (0.50) DHODHDPP4DPP8
SCHEMBL25939538 0.72 DPP4 (0.42) DHODHDPP4DPP8AKR1C2AKR1C1

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 441/4885DPP4 2193/4885DPP8 2932/4885

“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.