SCHEMBL13675517

SCHEMBL13675517

COc1ccc2cc1CN(C)CCCCCC(=O)Nc1cccc(c1)Nc1nccc-2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 20/20 0.53
JAK2 O60674 19/20 0.53
CCNA2 P20248 16/20 0.53
CDK2 P24941 16/20 0.53
CCNA1 P78396 16/20 0.53
TYK2 P29597 11/20 0.53
JAK3 P52333 5/20 0.53
CYP2D6 P10635 1/20 0.53
JAK1 P23458 9/20 0.48
CCNE1 P24864 1/20 0.47
CYP3A4 P08684 1/20 0.44

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
SCHEMBL823896 0.85 CDK2 (0.67) FLT3JAK2CCNA2CDK2CCNA1
SCHEMBL12921876 0.82 FLT3 (0.52) FLT3JAK2CCNA2CDK2CCNA1
SCHEMBL12948386 0.80 FLT3 (0.54) FLT3JAK2CCNA2CDK2CCNA1
SCHEMBL824028 0.79 CDK2 (0.74) FLT3JAK2CCNA2CDK2CCNA1
SCHEMBL12921806 0.79 FLT3 (0.51) FLT3JAK2CCNA2CDK2CCNA1
SCHEMBL14731347 0.77 PLK4 (0.57) FLT3JAK2CCNA2CDK2CCNA1
SCHEMBL824025 0.77 FLT3 (0.64) FLT3JAK2CCNA2CDK2CCNA1
SCHEMBL12948334 0.77 FLT3 (0.52) FLT3JAK2CCNA2CDK2CCNA1
SCHEMBL12921845 0.76 FLT3 (0.47) FLT3JAK2CCNA2CDK2CCNA1
SCHEMBL823984 0.76 FLT3 (0.75) FLT3JAK2CCNA2CDK2CCNA1

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 2 patents. 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
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 692/4885CCNA2 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.