SCHEMBL823902

SCHEMBL823902

O=C1NC/C=C/COCc2cccc(c2)Nc2nccc(n2)-c2cccc1c2

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 20/20 0.67
JAK2 O60674 19/20 0.67
TYK2 P29597 17/20 0.67
CDK2 P24941 14/20 0.67
CCNA2 P20248 10/20 0.66
CCNA1 P78396 10/20 0.66
JAK1 P23458 13/20 0.64
JAK3 P52333 5/20 0.64

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
SCHEMBL29617551 0.90 FLT3 (0.82) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL20322485 0.90 FLT3 (0.82) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL1108225 0.84 JAK2 (0.71) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL1108219 0.84 JAK2 (0.71) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL823837 0.83 FLT3 (0.69) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL1108269 0.81 FLT3 (1.00) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL824048 0.80 CDK2 (0.75) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL1108223 0.80 JAK2 (0.78) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL824044 0.80 FLT3 (1.00) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL824054 0.80 FLT3 (1.00) FLT3JAK2TYK2CDK2CCNA2

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