SCHEMBL3043396

SCHEMBL3043396

O[C@H]1CC[C@H](Nc2ccc3ncc(-c4ccc(F)c(F)c4)n3n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 16/20 0.72
KCNH2 Q12809 3/20 0.72
MKNK1 Q9BUB5 2/20 0.57
IKBKB O14920 1/20 0.55
FYN P06241 1/20 0.55

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
SCHEMBL3043399 1.00 PIM1 (0.72) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3033472 0.91 PIM1 (0.66) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3033474 0.91 PIM1 (0.66) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3037427 0.90 PIM1 (0.71) PIM1KCNH2MKNK1FYN
SCHEMBL3037431 0.90 PIM1 (0.71) PIM1KCNH2MKNK1FYN
SCHEMBL3040947 0.90 PIM1 (0.74) PIM1KCNH2FYN
SCHEMBL2940384 0.90 PIM1 (0.74) PIM1KCNH2FYN
SCHEMBL1051060 0.88 PIM1 (0.72) PIM1KCNH2MKNK1FYN
SCHEMBL3040085 0.88 PIM1 (0.67) PIM1KCNH2MKNK1FYN
SCHEMBL3040087 0.88 PIM1 (0.67) PIM1KCNH2MKNK1FYN

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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN PIM1 138/4885KCNH2 235/4885MKNK1 816/4885

“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.