SCHEMBL414488

SCHEMBL414488

CN1CC(=O)NCCCOc2ccc(cc2Cl)Nc2ncc(C#N)c(n2)Nc2cccc(c2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.43
JAK1 P23458 14/20 0.43
JAK3 P52333 14/20 0.43
TYK2 P29597 12/20 0.43
ALK Q9UM73 9/20 0.42
MAP4K1 Q92918 2/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
FLT3 P36888 1/20 0.38
CCNA1 P78396 1/20 0.38
MAP4K3 Q8IVH8 1/20 0.37

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
SCHEMBL416068 1.00 JAK2 (0.43) JAK2JAK1JAK3TYK2ALK
SCHEMBL10258744 0.95 ALK (0.43) JAK2JAK1JAK3TYK2ALK
SCHEMBL415980 0.89 JAK2 (0.41) JAK2JAK1JAK3TYK2ALK
SCHEMBL416065 0.86 ALK (0.39) JAK2JAK1JAK3TYK2ALK
SCHEMBL414507 0.85 JAK2 (0.41) JAK2JAK1JAK3TYK2ALK
SCHEMBL413910 0.85 CHEK1 (0.41) JAK2JAK1JAK3TYK2ALK
SCHEMBL416067 0.85 ALK (0.44) JAK2JAK1JAK3TYK2ALK
SCHEMBL414515 0.85 ALK (0.44) JAK2JAK1JAK3TYK2ALK
SCHEMBL10291310 0.84 JAK2 (0.43) JAK2JAK1JAK3TYK2ALK
SCHEMBL413931 0.84 JAK2 (0.43) JAK2JAK1JAK3TYK2ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 JAK2 2835/4885JAK1 2671/4885JAK3 1897/4885

“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.