SCHEMBL824121

SCHEMBL824121

CN1CCN(c2ccc3cc2CN(C)C/C=C/COCc2cc(cs2)-c2ccnc(n2)N3)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 20/20 0.62
JAK2 O60674 19/20 0.62
TYK2 P29597 16/20 0.62
JAK1 P23458 14/20 0.62
CDK2 P24941 15/20 0.59
JAK3 P52333 5/20 0.59
CCNA2 P20248 8/20 0.57
CCNA1 P78396 8/20 0.57

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
SCHEMBL824031 0.87 FLT3 (0.71) FLT3JAK2TYK2JAK1CDK2
SCHEMBL824093 0.85 FLT3 (0.63) FLT3JAK2TYK2JAK1CDK2
SCHEMBL824102 0.82 JAK2 (0.70) FLT3JAK2TYK2JAK1CDK2
SCHEMBL824032 0.82 FLT3 (0.63) FLT3JAK2TYK2JAK1CDK2
SCHEMBL14538459 0.77 JAK2 (0.75) FLT3JAK2TYK2JAK1CDK2
SCHEMBL1108254 0.77 JAK2 (1.00) FLT3JAK2TYK2JAK1CDK2
SCHEMBL14206152 0.76 JAK2 (0.69) FLT3JAK2TYK2JAK1CDK2
SCHEMBL14206832 0.76 JAK2 (0.69) FLT3JAK2TYK2JAK1CDK2
SCHEMBL14022926 0.76 JAK2 (0.71) FLT3JAK2TYK2JAK1CDK2
SCHEMBL1108284 0.76 JAK2 (0.73) FLT3JAK2TYK2JAK1CDK2

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.