SCHEMBL23917540

SCHEMBL23917540

Nc1ncnc2[nH]cc(-c3cc4cc(F)cc(O)c4[nH]3)c12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CG P48736 2/20 0.39
LRRK2 Q5S007 11/20 0.37
FLT3 P36888 2/20 0.34
STK4 Q13043 2/20 0.33
STK3 Q13188 2/20 0.33
MET P08581 1/20 0.33
PDPK1 O15530 1/20 0.32

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
SCHEMBL23917542 0.77 PIK3CD (0.45) RETPIK3CDPIK3CGMET
SCHEMBL23917468 0.72 RET (0.57) RETPIK3CDPIK3CGLRRK2FLT3
SCHEMBL16665728 0.72 RET (0.56) RET
SCHEMBL16655896 0.69 PIK3CD (0.49) RETPIK3CDFLT3MET
SCHEMBL16665717 0.68 RET (0.33) RETPIK3CDPIK3CGLRRK2STK4
SCHEMBL4352960 0.67 LRRK2 (0.58) RETLRRK2FLT3STK4STK3
SCHEMBL16655726 0.67 PIK3CD (0.52) RETPIK3CDFLT3MET
SCHEMBL4353306 0.66 LRRK2 (0.62) LRRK2STK4STK3
SCHEMBL6531144 0.65 RET (0.42) RETLRRK2FLT3STK4STK3
SCHEMBL30052782 0.65 RET (0.42) RETLRRK2FLT3STK4STK3

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 RET 753/4885PIK3CD 2/4885PIK3CG 8/4885

“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.