SCHEMBL1937016

SCHEMBL1937016

CC(C)(C)N(C(=O)O)[C@H]1CC[C@H](Nc2ncc(C(N)=O)cc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.40
▸ SYK P43405 7/20 0.37
▸ CHEK1 O14757 2/20 0.37
▸ MAPKAPK2 P49137 2/20 0.37
▸ KIT P10721 2/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ MAPK8 P45983 2/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ HCAR3 P49019 1/20 0.34
▸ JAK2 O60674 1/20 0.34

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
SCHEMBL1937018 1.00 IRAK4 (0.40) IRAK4SYKCHEK1MAPKAPK2KIT
SCHEMBL1937750 0.83 IRAK4 (0.47) IRAK4
SCHEMBL1937748 0.83 IRAK4 (0.47) IRAK4
SCHEMBL1937724 0.82 SYK (0.38) SYKKITFLT3MAPK8MAPK9
SCHEMBL1937722 0.82 SYK (0.38) SYKKITFLT3MAPK8MAPK9
SCHEMBL1937691 0.81 HCAR3 (0.54) SYKHCAR3
SCHEMBL1937694 0.81 HCAR3 (0.54) SYKHCAR3
SCHEMBL13463627 0.80 KIT (0.41) IRAK4SYKCHEK1MAPKAPK2KIT
SCHEMBL3623064 0.79 SYK (0.41) IRAK4SYKCHEK1MAPKAPK2MAPK8
SCHEMBL3623068 0.79 SYK (0.41) IRAK4SYKCHEK1MAPKAPK2MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 — — US disclosed
EP-2331507-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2011-06-15 — — EP 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 IRAK4 1074/4885SYK 1152/4885CHEK1 1873/4885

“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.

Send feedback