SCHEMBL21064262

SCHEMBL21064262

CCCCCCCC(C)(CCCC)c1cccc(F)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
CNR2 P34972 6/20 0.33
CNR1 P21554 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MERTK Q12866 1/20 0.31
ICMT O60725 1/20 0.31
SCN5A Q14524 3/20 0.30
SCN9A Q15858 3/20 0.30
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL22624105 0.84 KCNH2 (0.39) KCNH2CNR2CNR1TLR8
SCHEMBL26326025 0.81 KCNH2 (0.41) KCNH2CNR2CNR1MEN1KMT2A
SCHEMBL22375312 0.81 KCNH2 (0.41) KCNH2CNR2CNR1MEN1KMT2A
SCHEMBL21731344 0.79 MCHR1 (0.41) KCNH2CNR2CNR1TLR8
SCHEMBL21731356 0.79 MCHR1 (0.41) KCNH2CNR2CNR1TLR8
SCHEMBL23745402 0.77 KCNH2 (0.38) KCNH2CNR2CNR1
SCHEMBL22375286 0.75 KCNH2 (0.39) KCNH2CNR2CNR1MEN1KMT2A
SCHEMBL21191655 0.74 LMNA (0.41) SMN1; SMN2TLR8
SCHEMBL18745361 0.74 LMNA (0.41) SMN1; SMN2TLR8
SCHEMBL21478368 0.73 FAAH (0.39) KCNH2CNR2CNR1SMN1; SMN2TLR8

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-10308639-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-06-04 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-10308639-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, AKT2 KCNH2 2850/4885CNR2 3870/4885CNR1 3626/4885

“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.