SCHEMBL3999908

SCHEMBL3999908

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1ccnc(Nc2ccc(C(=O)N3CCOCC3)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 1.00
JAK2 O60674 1/20 0.65
INSR P06213 1/20 0.65
IGF1R P08069 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C8 P10632 1/20 0.65
CYP2C9 P11712 1/20 0.65
SRC P12931 1/20 0.65
CYP2C19 P33261 1/20 0.65
FLT3 P36888 1/20 0.65
TEC P42680 1/20 0.65
TXK P42681 1/20 0.65
MAPKAPK2 P49137 1/20 0.65
BMX P51813 1/20 0.65
JAK3 P52333 1/20 0.65
ITK Q08881 1/20 0.65
MAPKAPK3 Q16644 1/20 0.65

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
SCHEMBL14185595 0.93 BTK (0.86) BTK
SCHEMBL14185598 0.92 BTK (0.85) BTK
SCHEMBL14185617 0.91 BTK (0.83) BTK
SCHEMBL4006351 0.90 BTK (0.82) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL14185616 0.90 BTK (0.81) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL4985156 0.89 BTK (0.80) BTK
SCHEMBL16344741 0.89 BTK (1.00) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL16353814 0.87 BTK (1.00) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL14185603 0.87 BTK (0.77) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL4982287 0.87 BTK (0.77) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069314-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP disclosed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 US disclosed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 US disclosed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 US disclosed
WO-2008033834-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
WO-2008033834-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS 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-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, TK1 BTK 1/4885JAK2 82/4885INSR 3159/4885

“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.