SCHEMBL3042136

SCHEMBL3042136

COc1ncc(-c2cnc3ccc(N[C@H]4CC[C@H](O)CC4)nn23)cn1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.62
KCNH2 Q12809 3/20 0.62
FYN P06241 6/20 0.57
MKNK1 Q9BUB5 3/20 0.55
IKBKB O14920 1/20 0.51

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
SCHEMBL3042139 1.00 PIM1 (0.62) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL1053282 0.88 FYN (0.73) PIM1KCNH2FYNMKNK1
SCHEMBL3033353 0.87 FYN (0.67) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL2949428 0.87 FYN (0.67) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL2947994 0.87 FYN (0.65) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3033272 0.87 FYN (0.65) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3041628 0.86 PIM1 (0.66) PIM1KCNH2FYNMKNK1
SCHEMBL3041625 0.86 PIM1 (0.66) PIM1KCNH2FYNMKNK1
SCHEMBL4696853 0.84 PIM1 (0.52) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3042041 0.84 FYN (0.80) PIM1KCNH2FYN

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 235/4885FYN 3/4885

“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.