SCHEMBL25252389

SCHEMBL25252389

Cc1cc(C(F)(F)F)nc(Cl)c1Cn1cncn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.38
UGT1A4 P22310 1/20 0.36
PDE4D Q08499 1/20 0.36
KLKB1 P03952 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 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
SCHEMBL31679112 1.00 CYP19A1 (0.38) CYP19A1UGT1A4PDE4DKLKB1POLB
SCHEMBL25880579 0.86 KLKB1 (0.38) CYP19A1UGT1A4PDE4DKLKB1KDM4E
SCHEMBL23269465 0.72 HSP90AA1 (0.37) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL25252301 0.72 HSP90AA1 (0.37) KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL29464842 0.72 HSP90AA1 (0.37) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL28786049 0.72 CYP11B1 (0.50) CYP19A1UGT1A4PDE4DKLKB1POLB
SCHEMBL11985863 0.66 HSP90AA1 (0.42) POLBKDM4ETSHRHSD17B10ALDH1A1
SCHEMBL25245387 0.66 RORC (0.47) ALDH1A1
SCHEMBL25738942 0.66 HSP90AA1 (0.32) KDM4EGAAHPGD
SCHEMBL28093407 0.64 CYP19A1 (0.52) CYP19A1UGT1A4PDE4DMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452984-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Molecure S.A. (PL) 2024-10-30 EP disclosed
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 US disclosed
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 US disclosed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 WO disclosed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 WO 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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 CYP19A1 2485/4885UGT1A4 1911/4885PDE4D 2395/4885

“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.