SCHEMBL824059

SCHEMBL824059

C=CCCOc1cc(-c2ccnc(Nc3cccc(CN(C)CC=C)c3)n2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
JAK2 O60674 5/20 0.40
JAK3 P52333 3/20 0.40
FLT3 P36888 1/20 0.40
PIK3CG P48736 5/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CB P42338 3/20 0.40
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
AIMP2 Q13155 1/20 0.39
MTOR P42345 2/20 0.39
SMG1 Q96Q15 2/20 0.39
CDK1 P06493 1/20 0.39
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
SRC P12931 1/20 0.39
EGFR P00533 1/20 0.39
ITK Q08881 1/20 0.39
CDK5 Q00535 1/20 0.38

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
SCHEMBL823960 0.90 AIMP2 (0.47) JAK2JAK3FLT3PIK3CGPIK3CA
SCHEMBL824072 0.84 PIK3CA (0.44) MAPTJAK2JAK3FLT3PIK3CG
SCHEMBL19766407 0.77 PLK1 (0.45) JAK2PIK3CGPIK3CAPIK3CBCDK4
SCHEMBL12352801 0.75 PIK3CG (0.47) JAK2JAK3PIK3CGPIK3CAPIK3CB
SCHEMBL823940 0.73 SYK (0.39) JAK2JAK3FLT3PIK3CGPIK3CA
SCHEMBL11955402 0.73 ABL1 (0.47) JAK2JAK3PIK3CGPIK3CAPIK3CB
SCHEMBL1098726 0.72 ABL1 (0.46) JAK2PIK3CGPIK3CAPIK3CBAIMP2
SCHEMBL3045105 0.72 CDK5 (0.58) JAK2FLT3PIK3CGPIK3CAPIK3CB
SCHEMBL14531627 0.71 PLK1 (0.52) JAK2JAK3PIK3CGCDK4CDK2
SCHEMBL4813575 0.71 EGFR (0.37) MAPTEGFR

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 17 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
EP-1951730-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*Bio Pte Ltd (SG) 2008-08-06 EP disclosed
WO-2007058628-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 WO 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 MAPT 4088/4885JAK2 692/4885JAK3 682/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD MAPT 4088/4885JAK2 692/4885JAK3 682/4885

“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.