SCHEMBL823935

SCHEMBL823935

CCN(CC)CCOc1ccc2cc1CNC/C=C\CCOc1cccc(c1)-c1ccnc(n1)N2

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.77
FLT3 P36888 20/20 0.77
CCNA2 P20248 15/20 0.77
CDK2 P24941 15/20 0.77
CCNA1 P78396 15/20 0.77
TYK2 P29597 7/20 0.60
JAK1 P23458 4/20 0.60
CYP3A4 P08684 2/20 0.60
JAK3 P52333 2/20 0.60

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
SCHEMBL823998 1.00 JAK2 (0.77) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL1108227 0.88 JAK2 (0.78) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL18780732 0.88 JAK2 (0.76) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL823846 0.87 JAK2 (1.00) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL824118 0.85 JAK2 (0.78) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL824076 0.85 JAK2 (0.78) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL824099 0.85 JAK2 (0.82) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL13355565 0.84 JAK2 (0.81) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL1108233 0.82 JAK2 (0.83) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL14538689 0.81 JAK2 (0.72) JAK2FLT3CCNA2CDK2CCNA1

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 424/4885CCNA2 82/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD JAK2 692/4885FLT3 424/4885CCNA2 82/4885

“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.