SCHEMBL3039012

SCHEMBL3039012

CC(C)(C)OC(=O)N1CCC(Nc2ccc3ncc(-c4ccncc4)n3n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.63
FYN P06241 4/20 0.61
KCNH2 Q12809 2/20 0.50
PIM1 P11309 4/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SYK P43405 1/20 0.47
MMP13 P45452 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
ALDH1A1 P00352 1/20 0.46
USP30 Q70CQ3 1/20 0.46

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
SCHEMBL12699555 0.91 FYN (0.63) MKNK1FYNKCNH2PIM1POLB
SCHEMBL3033422 0.90 MKNK1 (0.68) MKNK1FYNKCNH2PIM1POLB
SCHEMBL12350891 0.88 FYN (0.52) MKNK1FYNKCNH2PIM1POLB
SCHEMBL2941615 0.88 FYN (0.51) MKNK1FYNPIM1SYKALDH1A1
SCHEMBL2356723 0.86 PIM1 (0.49) MKNK1FYNKCNH2PIM1POLB
SCHEMBL2237814 0.86 PIM1 (0.47) MKNK1FYNKCNH2PIM1POLB
SCHEMBL12699340 0.86 FYN (0.52) MKNK1FYNKCNH2PIM1POLB
SCHEMBL3046484 0.86 MKNK1 (0.71) MKNK1FYNKCNH2PIM1
SCHEMBL3031328 0.86 MKNK1 (0.64) MKNK1FYNKCNH2PIM1
SCHEMBL3031333 0.86 MKNK1 (0.64) MKNK1FYNKCNH2PIM1

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.