SCHEMBL12650372

SCHEMBL12650372

Cc1c(CC(=O)O)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c(=O)n(C)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.70
CLK2 P49760 1/20 0.63
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
SRC P12931 1/20 0.49

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
SCHEMBL12602983 0.89 BTK (0.75) BTKCLK2KDM4ERAB9ASRC
SCHEMBL4078372 0.87 BTK (0.73) BTKCLK2KDM4ERAB9ASRC
SCHEMBL105877 0.87 BTK (0.65) BTKCLK2KDM4ERAB9A
SCHEMBL3963393 0.86 BTK (0.71) BTKCLK2KDM4ERAB9A
SCHEMBL171985 0.85 BTK (0.70) BTKCLK2KDM4ERAB9A
SCHEMBL12602985 0.85 BTK (0.60) BTKCLK2KDM4ERAB9ASRC
SCHEMBL13894070 0.84 BTK (0.88) BTKCLK2
SCHEMBL3867754 0.82 BTK (0.74) BTKCLK2KDM4ERAB9ASRC
SCHEMBL102343 0.82 BTK (1.00) BTKCLK2
SCHEMBL1322849 0.81 BTK (0.82) BTKCLK2

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-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 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-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN BTK 1/4885CLK2 552/4885KDM4E 1225/4885

“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.