SCHEMBL23917538

SCHEMBL23917538

CC(=O)c1ccc(-c2nn(CCC3CCc4ccccc4C3)c3ncnc(N)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.57
TGFBR1 P36897 9/20 0.51
SRC P12931 5/20 0.50
KCNH2 Q12809 2/20 0.50
ABL1 P00519 2/20 0.50
HCK P08631 2/20 0.50
PIK3CD O00329 1/20 0.50
EGFR P00533 1/20 0.50
KDR P35968 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
MTOR P42345 1/20 0.50
PIK3CG P48736 1/20 0.50
EPHB4 P54760 1/20 0.50
PRKDC P78527 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
LCK P06239 1/20 0.47
TEK Q02763 1/20 0.47
ATR Q13535 1/20 0.47
FRK P42685 1/20 0.46

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
SCHEMBL23917211 0.83 PIK3CD (0.55) TGFBR1SRCABL1HCKPIK3CD
SCHEMBL16655730 0.81 ATR (0.70) SRCABL1HCKPIK3CDEGFR
SCHEMBL23917484 0.80 PIK3CD (0.50) TGFBR1SRCKCNH2ABL1HCK
SCHEMBL17725992 0.73 FYN (1.00) FYNSRCABL1HCKPIK3CD
SCHEMBL16655658 0.73 ATR (0.71) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23917469 0.73 PIK3CD (0.45) TGFBR1SRCKCNH2ABL1HCK
SCHEMBL16655596 0.73 PIK3CD (0.65) SRCABL1HCKPIK3CDEGFR
SCHEMBL130427 0.72 PIK3CD (0.72) FYNSRCABL1HCKPIK3CD
SCHEMBL23917452 0.72 PIK3CD (0.55) SRCABL1HCKPIK3CDEGFR
SCHEMBL16655966 0.69 BTK (0.66) SRCPIK3CDLCKTEKATR

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 FYN 192/4885TGFBR1 3390/4885SRC 92/4885

“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.