SCHEMBL23978006

SCHEMBL23978006

COc1c(C)ncnc1OCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
CNR2 P34972 1/20 0.34
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
BRAF P15056 1/20 0.31
TNNI3K Q59H18 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
THRB P10828 1/20 0.31
G6PD P11413 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL29072754 0.81 ALDH1A1 (0.35) MAP3K7TAB1CNR2PTGS2PTGS1
SCHEMBL30117115 0.81 ALDH1A1 (0.35) MAP3K7TAB1CNR2PTGS2PTGS1
SCHEMBL29072772 0.78 MBOAT4 (0.33) MAP3K7TAB1MBOAT4
SCHEMBL14326156 0.77 PDPK1 (0.39) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL29072674 0.76 MAP3K7 (0.33) MAP3K7TAB1ALDH1A1MAPTKDM4E
SCHEMBL13058679 0.72 CYP1A1 (0.39) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19004847 0.71 CDK1 (0.39)
SCHEMBL9835970 0.71 CYP17A1 (0.40) PTGS2PTGS1BRAFTNNI3KALDH1A1
SCHEMBL26043796 0.70 HTT (0.53) MAP3K7TAB1ALDH1A1MAPTL3MBTL1
SCHEMBL10569355 0.70 ALDH1A1 (0.45) MAP3K7TAB1PTGS2MBOAT4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
WO-2021219594-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-04 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-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 MAP3K7 488/4885TAB1 3405/4885CNR2 1402/4885

“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.