SCHEMBL824015

SCHEMBL824015

COCCOc1ccc2cc1CN(C)C/C=C/COCc1ccc(o1)-c1ccnc(n1)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 1.00
FLT3 P36888 20/20 1.00
TYK2 P29597 16/20 1.00
CDK2 P24941 13/20 1.00
JAK1 P23458 13/20 1.00
JAK3 P52333 9/20 0.68
CSF1R P07333 2/20 0.68
CYP2C19 P33261 1/20 0.68
CDK9 P50750 1/20 0.68
CCNA2 P20248 4/20 0.60
CCNA1 P78396 4/20 0.60
CYP2D6 P10635 1/20 0.52
KCNH2 Q12809 1/20 0.50

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
SCHEMBL823948 0.90 JAK2 (1.00) JAK2FLT3TYK2CDK2JAK1
SCHEMBL824086 0.90 JAK2 (0.81) JAK2FLT3TYK2CDK2JAK1
SCHEMBL824052 0.87 JAK2 (0.77) JAK2FLT3TYK2CDK2JAK1
SCHEMBL824047 0.87 JAK2 (0.77) JAK2FLT3TYK2CDK2JAK1
SCHEMBL824053 0.85 JAK2 (0.75) JAK2FLT3TYK2CDK2JAK1
SCHEMBL823870 0.85 JAK2 (1.00) JAK2FLT3TYK2CDK2JAK1
SCHEMBL824123 0.83 FLT3 (0.72) JAK2FLT3TYK2CDK2JAK1
SCHEMBL823864 0.83 JAK2 (0.71) JAK2FLT3TYK2CDK2JAK1
SCHEMBL824102 0.83 JAK2 (0.70) JAK2FLT3TYK2CDK2JAK1
Ct-1578 SCHEMBL17594734 0.81 JAK2 (1.00) JAK2FLT3TYK2CDK2JAK1

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 10 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-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
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
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 JAK2 692/4885FLT3 424/4885TYK2 989/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD JAK2 692/4885FLT3 424/4885TYK2 989/4885

“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.