SCHEMBL22552409

SCHEMBL22552409

C=C(c1cn(-c2ccccc2C)c(=O)c2ccccc12)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.54
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
KDM4E B2RXH2 6/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 1/20 0.36
GAA P10253 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
SCHEMBL22552187 0.83 DHODH (0.54) DHODHHTR1AHTR2AHTR7HTR6
SCHEMBL30673353 0.80 DHODH (0.51) DHODHHTR1AHTR2AHTR7HTR6
SCHEMBL2676912 0.79 KDM4E (0.65) HTR1AHTR2AHTR7HTR6KDM4E
SCHEMBL22552419 0.72 DHODH (0.54) DHODHHTR1AHTR2AHTR7HTR6
SCHEMBL22552423 0.72 DHODH (0.54) DHODHHTR1AHTR2AHTR7HTR6
SCHEMBL22552530 0.71 KDM4E (0.45) DHODHHTR1AHTR2AHTR7HTR6
SCHEMBL30673355 0.71 KDM4E (0.45) DHODHHTR1AHTR2AHTR7HTR6
SCHEMBL7435194 0.71 KDM4E (0.42) HTR1AHTR2AHTR7HTR6KDM4E
SCHEMBL22552491 0.71 DHODH (0.47) DHODHLMNAALDH1A1MEN1KMT2A
SCHEMBL22552542 0.70 DHODH (0.55) DHODHHTR1AHTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2022-11-22 US disclosed
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2022-09-22 US disclosed
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2020-10-22 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 (4 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-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD DHODH 1/4885HTR1A 2947/4885HTR2A 3526/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD DHODH 1/4885HTR1A 2947/4885HTR2A 3526/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885HTR1A 2947/4885HTR2A 3526/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885HTR1A 2947/4885HTR2A 3526/4885

“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.