SCHEMBL12650337

SCHEMBL12650337

Cn1cc(-c2cccc(NC(=O)c3ccc(C(C)(C)CF)cc3)c2CO)cc(Nc2ccc(C(=O)N3CCN(C=O)CC3)cn2)c1=O

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.72
CLK2 P49760 1/20 0.72

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
SCHEMBL3866232 0.92 BTK (0.72) BTKCLK2
SCHEMBL12650245 0.91 BTK (0.74) BTKCLK2
SCHEMBL3892201 0.84 BTK (0.90) BTKCLK2
SCHEMBL3868921 0.84 BTK (1.00) BTKCLK2
SCHEMBL3867480 0.83 BTK (0.88) BTKCLK2
SCHEMBL3866373 0.83 BTK (0.88) BTKCLK2
SCHEMBL103134 0.83 BTK (0.87) BTKCLK2
SCHEMBL104965 0.83 BTK (0.74) BTKCLK2
SCHEMBL3872827 0.82 BTK (0.86) BTKCLK2
SCHEMBL3874887 0.82 BTK (0.88) 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 552/4885

“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.