SCHEMBL3866638

SCHEMBL3866638

Cn1cc(-c2cccc(NC(=O)c3ccc(C4CC4)cc3)c2CO)cc(NC(=O)NCC2CCCO2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.51
BTK Q06187 7/20 0.48
CLK2 P49760 1/20 0.47
FASN P49327 2/20 0.44
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL3865855 0.87 BTK (0.62) BTKCLK2
SCHEMBL3866595 0.84 BTK (0.51) BTKCLK2
SCHEMBL3866591 0.84 BTK (0.51) BTKCLK2
SCHEMBL3867475 0.84 BTK (0.51) BTKCLK2
SCHEMBL3870913 0.83 BTK (0.51) BTKCLK2
SCHEMBL3866997 0.83 BTK (0.52) SHMT2BTKCLK2KDM4EALDH1A1
SCHEMBL3867072 0.82 BTK (0.49) BTKCLK2
SCHEMBL3874856 0.80 BTK (0.47) SHMT2BTKCLK2
SCHEMBL3866353 0.80 BTK (0.46) SHMT2BTKCLK2POLB
SCHEMBL3866314 0.76 BTK (0.54) 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 5 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
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
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
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 SHMT2 4065/4885BTK 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.