SCHEMBL3867754

SCHEMBL3867754

Cn1cc(-c2cccc(N)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.74
CLK2 P49760 1/20 0.74
SRC P12931 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 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
SCHEMBL3654053 0.91 BTK (0.72) BTKCLK2SRCKDM4ERAB9A
SCHEMBL4078372 0.90 BTK (0.73) BTKCLK2SRCKDM4ERAB9A
SCHEMBL708175 0.88 BTK (0.66) BTKCLK2KDM4ERAB9A
SCHEMBL16024593 0.88 BTK (0.66) BTKCLK2KDM4ERAB9A
SCHEMBL3866373 0.87 BTK (0.88) BTKCLK2SRC
SCHEMBL3870986 0.86 BTK (0.86) BTKCLK2
SCHEMBL3867945 0.86 BTK (0.86) BTKCLK2
SCHEMBL3879056 0.85 BTK (0.88) BTKCLK2SRC
SCHEMBL3868921 0.85 BTK (1.00) BTKCLK2
SCHEMBL105668 0.85 BTK (0.83) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 US claimed
EP-2964642-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
EP-2205564-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
EP-2426109-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-18 EP 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 (2 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 552/4885SRC 110/4885
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BTK 1/4885CLK2 469/4885SRC 9/4885

“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.