SCHEMBL823940

SCHEMBL823940

C=CCOCc1ccc(-c2ccnc(Nc3cccc(CN(C)CC=C)c3)n2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.39
CDK2 P24941 3/20 0.38
CDK4 P11802 2/20 0.38
GSK3B P49841 1/20 0.38
EGFR P00533 2/20 0.37
ITK Q08881 1/20 0.37
BTK Q06187 1/20 0.36
SRC P12931 1/20 0.36
ZAP70 P43403 1/20 0.36
JAK2 O60674 3/20 0.35
JAK3 P52333 2/20 0.35
AIMP2 Q13155 1/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CG P48736 2/20 0.34
PIK3CB P42338 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL824072 0.75 PIK3CA (0.44) CDK2CDK4GSK3BEGFRITK
SCHEMBL824059 0.73 MAPT (0.45) CDK2CDK4GSK3BEGFRITK
SCHEMBL823960 0.73 AIMP2 (0.47) SYKCDK2EGFRBTKSRC
SCHEMBL1099020 0.70 JAK2 (0.43) SYKCDK2JAK2JAK3AIMP2
SCHEMBL18532087 0.69 JAK2 (0.42) SYKCDK2JAK2JAK3AIMP2
SCHEMBL13909242 0.67 JAK2 (0.40) SYKCDK2SRCJAK2JAK3
SCHEMBL1098726 0.67 ABL1 (0.46) SYKEGFRSRCJAK2AIMP2
SCHEMBL824057 0.65 ABL1 (0.50) GSK3BEGFRSRCJAK2JAK3
SCHEMBL3045105 0.65 CDK5 (0.58) CDK2CDK4EGFRSRCZAP70
SCHEMBL14531627 0.64 PLK1 (0.52) CDK2CDK4GSK3BEGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
EP-1951730-B1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S BIO PTE LTD (SG) 2010-05-26 EP disclosed
EP-1951730-B1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S BIO PTE LTD (SG) 2010-05-26 EP disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
WO-2007058628-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 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 (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-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD SYK 1685/4885CDK2 13/4885CDK4 17/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD SYK 1685/4885CDK2 13/4885CDK4 17/4885

“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.