SCHEMBL27033795

SCHEMBL27033795

CC(C)(C)OC(=O)Cc1cnc2[nH]cc(Cl)c2c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.39
ITK Q08881 12/20 0.39
KLKB1 P03952 4/20 0.39
F2 P00734 2/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
MAP4K1 Q92918 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL29958074 1.00 BTK (0.39) BTKITKKLKB1F2JAK2
SCHEMBL30038499 0.83 KLKB1 (0.46) KLKB1F2MAP4K1
SCHEMBL17787108 0.83 KLKB1 (0.46) KLKB1F2MAP4K1
SCHEMBL27033831 0.80 BTK (0.44) BTKITKKLKB1F2MAP4K1
SCHEMBL29958524 0.80 BTK (0.44) BTKITKKLKB1F2MAP4K1
SCHEMBL27033870 0.79 BTK (0.44) BTKITKKLKB1F2MAP4K1
SCHEMBL29958243 0.79 BTK (0.44) BTKITKKLKB1F2MAP4K1
SCHEMBL12302707 0.77 MTNR1A (0.37)
SCHEMBL27033549 0.74 KDR (0.50) KLKB1JAK2JAK1JAK3CDK8
SCHEMBL23169558 0.73 STK17B (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 US disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO 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-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 BTK 1780/4885ITK 1085/4885KLKB1 1/4885

“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.