SCHEMBL823895

SCHEMBL823895

C=CCOCc1cc(-c2ccnc(Cl)n2)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.41
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
ALOX5 P09917 2/20 0.37
CNR2 P34972 2/20 0.37
AAK1 Q2M2I8 3/20 0.37
JAK2 O60674 1/20 0.35
EGFR P00533 1/20 0.35
CDK2 P24941 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PTK2B Q14289 1/20 0.35
TDO2 P48775 3/20 0.35
MGAM O43451 1/20 0.34

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
SCHEMBL824010 0.81 KMO (0.41) KMODYRK1ACLK4MEN1KMT2A
SCHEMBL823894 0.79 KMO (0.50) KMODYRK1ACLK4MEN1KMT2A
SCHEMBL1097452 0.76 DYRK1A (0.36) KMODYRK1ACLK4MEN1KMT2A
SCHEMBL12408680 0.76 MEN1 (0.61) KMODYRK1ACLK4MEN1KMT2A
SCHEMBL17744653 0.73 KMO (0.51) KMODYRK1ACLK4MEN1KMT2A
SCHEMBL1097565 0.73 GAA (0.31) GAA
SCHEMBL1099663 0.73 KMO (0.30) KMO
SCHEMBL12801634 0.72 KMO (0.50) KMODYRK1ACLK4MEN1KMT2A
SCHEMBL31391067 0.72 ALDH1A1 (0.52) KMODYRK1ACLK4MEN1KMT2A
SCHEMBL823897 0.72 KMO (0.50) KMODYRK1ACLK4MEN1KMT2A

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 KMO 1936/4885DYRK1A 561/4885CLK4 531/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD KMO 1936/4885DYRK1A 561/4885CLK4 531/4885

“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.