SCHEMBL23917542

SCHEMBL23917542

Cn1cc(-c2cc3cc(F)cc(O)c3[nH]2)c2c(N)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.45
PIK3CG P48736 2/20 0.45
RET P07949 4/20 0.43
KDR P35968 3/20 0.43
EIF2AK3 Q9NZJ5 12/20 0.41
MET P08581 1/20 0.39
AXL P30530 1/20 0.39
CYP3A4 P08684 1/20 0.39
EIF2AK2 P19525 1/20 0.39
EIF2AK1 Q9BQI3 1/20 0.39

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
SCHEMBL23917283 0.81 KDR (0.47) PIK3CDPIK3CGRETKDREIF2AK3
SCHEMBL23917260 0.81 KDR (0.47) PIK3CDPIK3CGRETKDREIF2AK3
SCHEMBL23917468 0.80 RET (0.57) PIK3CDPIK3CGRETKDRAXL
SCHEMBL16655896 0.78 PIK3CD (0.49) PIK3CDRETKDRMET
SCHEMBL23917540 0.77 RET (0.39) PIK3CDPIK3CGRETMET
SCHEMBL16655726 0.75 PIK3CD (0.52) PIK3CDRETKDRMET
SCHEMBL23917471 0.74 RET (0.73) RETKDREIF2AK3
SCHEMBL18874076 0.74 PIK3CD (0.56) PIK3CDPIK3CGRETKDREIF2AK3
SCHEMBL23917445 0.73 PIK3CD (0.57) PIK3CDPIK3CGKDREIF2AK3MET
SCHEMBL16665730 0.72 RIPK2 (0.39) PIK3CDRETKDRMET

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

“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.