SCHEMBL3040966

SCHEMBL3040966

COc1cc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)cc(OC)c1OC

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.80
PIM1 P11309 9/20 0.62
KCNH2 Q12809 3/20 0.62
MKNK1 Q9BUB5 2/20 0.54

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
SCHEMBL3040961 1.00 FYN (0.80) FYNPIM1KCNH2MKNK1
SCHEMBL18015043 0.94 FYN (0.71) FYNPIM1KCNH2MKNK1
SCHEMBL17849252 0.94 FYN (0.71) FYNPIM1KCNH2MKNK1
SCHEMBL3042041 0.90 FYN (0.80) FYNPIM1KCNH2
SCHEMBL3042044 0.90 FYN (0.80) FYNPIM1KCNH2
SCHEMBL1055103 0.89 FYN (1.00) FYNPIM1MKNK1
SCHEMBL3041877 0.88 FYN (0.80) FYNPIM1KCNH2
SCHEMBL2943496 0.88 FYN (0.80) FYNPIM1KCNH2
SCHEMBL3041628 0.87 PIM1 (0.66) FYNPIM1KCNH2MKNK1
SCHEMBL3041625 0.87 PIM1 (0.66) FYNPIM1KCNH2MKNK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 US disclosed
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 (3 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 FYN 521/4885PIM1 363/4885KCNH2 2562/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 FYN 521/4885PIM1 363/4885KCNH2 2562/4885
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN FYN 3/4885PIM1 138/4885KCNH2 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.