SCHEMBL24185802

SCHEMBL24185802

CC(C)n1nc(C(F)(F)F)nc1-c1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ESR1 P03372 1/20 0.34
AOC3 Q16853 2/20 0.34
PTGS2 P35354 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 2/20 0.31
MTOR P42345 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
SCHEMBL31625072 0.81 KIF11 (0.42) TMEM97SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL31625362 0.81 AOC3 (0.39) TMEM97SIGMAR1ESR1AOC3HTR2A
SCHEMBL24185804 0.79 SIGMAR1 (0.43) SIGMAR1AOC3PTGS2RECQL
SCHEMBL24185801 0.75 NR1H3 (0.41) TMEM97SIGMAR1AOC3PTGS2RECQL
SCHEMBL24185719 0.73 NR1H3 (0.38) SIGMAR1ESR1PTGS2RECQLKDM4E
SCHEMBL15723779 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL25728721 0.71 USP1 (0.44) PTGS2
SCHEMBL13605202 0.71 ESR1 (0.31) ESR1HTR2AHTR2CHTR2B
SCHEMBL22143333 0.68 USP1 (0.46)
SCHEMBL31624929 0.67 HTT (0.32)

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-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
WO-2022011338-A2 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
WO-2022011337-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 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-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 TMEM97 3461/4885SIGMAR1 4777/4885ESR1 4347/4885

“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.