SCHEMBL1069793

SCHEMBL1069793

CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3c[nH]c(=O)c(Nc4ccc(C(=O)O)cc4)n3)c2F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.62
SYK P43405 1/20 0.49
NR1H4 Q96RI1 3/20 0.43
PPARG P37231 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SRC P12931 2/20 0.42
FLT3 P36888 2/20 0.42
ITK Q08881 2/20 0.42
JAK2 O60674 1/20 0.42
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL1070824 0.86 BTK (0.71) BTKSRCFLT3ITKJAK2
SCHEMBL1069648 0.86 BTK (0.85) BTKSRCFLT3ITKJAK2
SCHEMBL1070723 0.86 BTK (0.70) BTKSRCFLT3ITKJAK2
SCHEMBL1071004 0.78 BTK (0.68) BTKSRCFLT3ITKJAK2
SCHEMBL1068842 0.77 BTK (0.66) BTKSRCFLT3ITKJAK2
SCHEMBL3344948 0.77 BTK (0.66) BTKNR1H4SRCFLT3ITK
SCHEMBL1069382 0.77 BTK (1.00) BTKSRCFLT3ITKJAK2
SCHEMBL1070541 0.74 BTK (0.59) BTKSYK
SCHEMBL1068492 0.74 BTK (0.76) BTK
SCHEMBL1069976 0.73 BTK (0.65) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP claimed
US-7947835-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2011-05-24 US claimed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 US claimed
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP disclosed
US-7947835-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
EP-2270200-A2 Kinase inhibitors, and methods of using and identifying kinase inhibitors CGI Pharmaceuticals, Inc. (US) 2011-01-05 EP disclosed
US-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors CGI PHARMACEUTICALS, INC (US) 2010-06-24 US disclosed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 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-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors BTK, LYN, LCK BTK 1/4885SYK 4/4885NR1H4 4589/4885
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof BTK, SYK, MYD88 BTK 1/4885SYK 2/4885NR1H4 1711/4885

“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.