SCHEMBL23917518

SCHEMBL23917518

C=CCOc1cc2[nH]c(-c3nn(CCC4CCc5ccccc5C4)c4ncnc(N)c34)cc2cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
RET P07949 3/20 0.39
KDR P35968 2/20 0.39
SRC P12931 4/20 0.39
PIK3CD O00329 4/20 0.38
ATR Q13535 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PRKDC P78527 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
BTK Q06187 2/20 0.37

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
SCHEMBL16655928 0.86 ATR (0.53) RETKDRPIK3CDATRBTK
SCHEMBL23917469 0.85 PIK3CD (0.45) TGFBR1RETKDRSRCPIK3CD
SCHEMBL16655542 0.83 RET (0.51) RETKDRPIK3CDATRBTK
SCHEMBL16655774 0.83 ATR (0.53) RETKDRPIK3CDATRBTK
SCHEMBL16655754 0.81 RET (0.51) RETKDRPIK3CDATRBTK
SCHEMBL23917246 0.79 RET (0.37) RETFGFR1FGFR2FGFR4FGFR3
SCHEMBL23917247 0.78 RET (0.49) TGFBR1RETKDRSRCPIK3CD
SCHEMBL23917204 0.75 RET (0.49) TGFBR1RETKDRSRCPIK3CD
SCHEMBL16655734 0.74 RET (0.43) RETKDRPIK3CDBTK
SCHEMBL16655326 0.73 PIK3CD (0.56) RETKDRPIK3CDATRBTK

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-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB TGFBR1 3390/4885RET 753/4885KDR 858/4885

“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.