SCHEMBL3033801

SCHEMBL3033801

COC(=O)c1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 18/20 0.70
KCNH2 Q12809 3/20 0.70
FYN P06241 2/20 0.60

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
SCHEMBL3033799 1.00 PIM1 (0.70) PIM1KCNH2FYN
SCHEMBL2949917 0.89 IKBKB (0.62) PIM1KCNH2FYN
SCHEMBL3041419 0.89 PIM1 (0.74) PIM1KCNH2FYN
SCHEMBL1054075 0.89 PIM1 (0.74) PIM1KCNH2FYN
SCHEMBL3037341 0.88 PIM1 (0.73) PIM1KCNH2FYN
SCHEMBL3037344 0.88 PIM1 (0.73) PIM1KCNH2FYN
SCHEMBL3033292 0.87 PIM1 (0.63) PIM1KCNH2FYN
SCHEMBL3033287 0.87 PIM1 (0.63) PIM1KCNH2FYN
SCHEMBL3044955 0.86 FYN (0.80) PIM1KCNH2FYN
SCHEMBL2949551 0.86 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.