SCHEMBL3963743

SCHEMBL3963743

Cc1c(C(N)=O)cccc1-c1c[nH]c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.54
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 1/20 0.52
CLK2 P49760 1/20 0.47
TYK2 P29597 1/20 0.46
SRC P12931 1/20 0.45
HPGD P15428 1/20 0.42
PDE4B Q07343 1/20 0.42
BDKRB1 P46663 1/20 0.42

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
SCHEMBL5124318 0.90 BTK (0.55) BTKKDM4ERAB9ACLK2TYK2
SCHEMBL3963393 0.86 BTK (0.71) BTKKDM4ERAB9ACLK2
SCHEMBL13894025 0.85 BTK (0.67) BTKKDM4ERAB9ACLK2SRC
SCHEMBL1322606 0.83 BTK (0.77) BTKCLK2SRC
SCHEMBL4085845 0.82 BTK (0.59) BTKKDM4ERAB9ACLK2TYK2
SCHEMBL3750774 0.81 NPC1 (0.42) KDM4ERAB9A
SCHEMBL3660016 0.81 BTK (0.62) BTKKDM4ERAB9ACLK2TYK2
SCHEMBL3968942 0.80 BTK (0.51) BTK
SCHEMBL3654050 0.79 BTK (0.50) BTKKDM4ERAB9ACLK2TYK2
SCHEMBL1321960 0.79 BTK (0.58) BTKKDM4ERAB9ACLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081923-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2016-03-16 EP disclosed
EP-2081923-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
US-20080139557-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2008-06-12 US disclosed
WO-2008033854-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2008-03-20 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-20080139557-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 BTK 1/4885KDM4E 845/4885RAB9A 2778/4885

“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.