SCHEMBL3036739

SCHEMBL3036739

CNC(=O)[C@H]1CC[C@H](Nc2ccc3ncc(-c4ccncc4)n3n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.69
FYN P06241 4/20 0.67
KCNH2 Q12809 3/20 0.52
PIM1 P11309 10/20 0.49
IKBKB O14920 1/20 0.49

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
SCHEMBL3036741 1.00 MKNK1 (0.69) MKNK1FYNKCNH2PIM1IKBKB
SCHEMBL3041644 0.88 MKNK1 (0.73) MKNK1FYNKCNH2PIM1IKBKB
SCHEMBL3041642 0.88 MKNK1 (0.73) MKNK1FYNKCNH2PIM1IKBKB
SCHEMBL3036609 0.88 MKNK1 (0.88) MKNK1FYNKCNH2PIM1
SCHEMBL3031269 0.88 MKNK1 (0.69) MKNK1FYNKCNH2PIM1IKBKB
SCHEMBL3031273 0.88 MKNK1 (0.69) MKNK1FYNKCNH2PIM1IKBKB
SCHEMBL3037817 0.87 MKNK1 (0.72) MKNK1FYNKCNH2PIM1IKBKB
SCHEMBL3027620 0.87 MKNK1 (0.72) MKNK1FYNKCNH2PIM1IKBKB
SCHEMBL3037225 0.87 MKNK1 (0.68) MKNK1FYNKCNH2PIM1IKBKB
SCHEMBL3037221 0.87 MKNK1 (0.68) MKNK1FYNKCNH2PIM1IKBKB

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 MKNK1 816/4885FYN 3/4885KCNH2 235/4885

“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.