SCHEMBL13675497

SCHEMBL13675497

O=C1CCCCCOCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)N1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 18/20 0.54
JAK2 O60674 18/20 0.54
CDK2 P24941 14/20 0.54
TYK2 P29597 11/20 0.54
CCNA2 P20248 11/20 0.54
CCNA1 P78396 11/20 0.54
CCNE1 P24864 1/20 0.52
JAK1 P23458 8/20 0.52
JAK3 P52333 4/20 0.52
HDAC6 Q9UBN7 2/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL13676178 0.99 FLT3 (0.55) FLT3JAK2CDK2TYK2CCNA2
SCHEMBL13675518 0.88 FLT3 (0.49) FLT3JAK2CDK2TYK2CCNA2
SCHEMBL14022774 0.86 JAK2 (0.61) FLT3JAK2CDK2TYK2CCNA2
SCHEMBL824025 0.85 FLT3 (0.64) FLT3JAK2CDK2TYK2CCNA2
SCHEMBL823837 0.83 FLT3 (0.69) FLT3JAK2CDK2TYK2CCNA2
SCHEMBL20322485 0.79 FLT3 (0.82) FLT3JAK2CDK2TYK2CCNA2
SCHEMBL823901 0.76 FLT3 (0.78) FLT3JAK2CDK2TYK2CCNA2
SCHEMBL24071979 0.74 JAK2 (0.48) FLT3JAK2CDK2TYK2CCNA2
SCHEMBL24072371 0.74 FLT3 (0.48) FLT3JAK2CDK2TYK2CCNA2
SCHEMBL24071674 0.74 FLT3 (0.48) FLT3JAK2CDK2TYK2CCNA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US 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 (1 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 692/4885CDK2 13/4885

“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.