SCHEMBL3027632

SCHEMBL3027632

O=C(Nc1ccc2ncc(-c3ccncc3)n2n1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.66
FYN P06241 14/20 0.59
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
MKNK2 Q9HBH9 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
SCHEMBL3036688 0.82 MKNK1 (0.65) MKNK1FYN
SCHEMBL3043603 0.82 MKNK1 (0.67) MKNK1FYN
SCHEMBL3043606 0.82 MKNK1 (0.67) MKNK1FYN
SCHEMBL3031885 0.80 MKNK1 (1.00) MKNK1FYN
SCHEMBL3036704 0.77 MKNK1 (0.77) MKNK1FYN
SCHEMBL3039017 0.77 MKNK1 (1.00) MKNK1FYN
SCHEMBL3044750 0.77 MKNK1 (0.66) MKNK1FYNMKNK2
SCHEMBL3038068 0.76 FYN (0.72) MKNK1FYN
SCHEMBL3033429 0.75 MKNK1 (1.00) MKNK1FYN
SCHEMBL3040935 0.75 FYN (0.65) MKNK1FYN

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 3/4885KDM4E 160/4885

“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.