SCHEMBL25875342

SCHEMBL25875342

CC(C)(C)c1ccc(-n2cc(F)cn2)nc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
HDAC4 P56524 1/20 0.36
TDO2 P48775 1/20 0.34
GCG P01275 2/20 0.33
EGLN1 Q9GZT9 6/20 0.33
GRM5 P41594 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
APAF1 O14727 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCR9 P51686 1/20 0.32
ME2 P23368 1/20 0.31
ME1 P48163 1/20 0.31
ME3 Q16798 1/20 0.31
GCGR P47871 1/20 0.31
ALOX5AP P20292 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
SCHEMBL28441262 0.83 HDAC4 (0.42) MAPTHDAC4EGLN1ALDH1A1GCGR
SCHEMBL30451998 0.80 HDAC4 (0.40) MAPTHDAC4GCGEGLN1ALDH1A1
SCHEMBL28435954 0.80 HDAC4 (0.40) MAPTHDAC4GCGEGLN1ALDH1A1
SCHEMBL26422895 0.79 HDAC4 (0.46) MAPTHDAC4GCGALDH1A1KDM4E
SCHEMBL28431647 0.75 TDO2 (0.37) TDO2EGLN1GRM5ALDH1A1KDM4E
SCHEMBL28938115 0.75 TDO2 (0.37) TDO2EGLN1GRM5
SCHEMBL31435193 0.75 HCAR2 (0.39) TDO2EGLN1GRM5ME2ME1
SCHEMBL30452646 0.75 TDO2 (0.37) TDO2EGLN1GRM5ALDH1A1KDM4E
SCHEMBL24921531 0.74 EGLN1 (0.50) MAPTTDO2EGLN1GRM5KDM4E
SCHEMBL22701706 0.74 EGLN1 (0.50) TDO2EGLN1

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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF RET, ROR1, FGFR3 MAPT 1165/4885HDAC4 1603/4885TDO2 4234/4885

“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.