SCHEMBL415980

SCHEMBL415980

CCN1CCC(=O)NCCCOc2ccc(cc2Cl)Nc2ncc(C#N)c(n2)Nc2cccc(c2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.41
JAK1 P23458 13/20 0.41
JAK3 P52333 13/20 0.41
TYK2 P29597 12/20 0.41
ALK Q9UM73 9/20 0.40
MAP4K1 Q92918 2/20 0.35
MAP4K3 Q8IVH8 1/20 0.35
STK4 Q13043 1/20 0.35
STK3 Q13188 1/20 0.35
STK26 Q9P289 1/20 0.35
STK24 Q9Y6E0 1/20 0.35

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
SCHEMBL10280140 0.92 JAK2 (0.37) JAK2JAK1JAK3TYK2ALK
SCHEMBL14765618 0.91 JAK2 (0.36) JAK2JAK1JAK3TYK2ALK
SCHEMBL414486 0.91 CHEK1 (0.39) JAK2JAK1JAK3TYK2ALK
SCHEMBL414488 0.89 JAK2 (0.43) JAK2JAK1JAK3TYK2ALK
SCHEMBL416068 0.89 JAK2 (0.43) JAK2JAK1JAK3TYK2ALK
SCHEMBL463855 0.88 JAK2 (0.35) JAK2JAK1JAK3TYK2ALK
SCHEMBL416067 0.88 ALK (0.44) JAK2JAK1JAK3TYK2ALK
SCHEMBL414515 0.88 ALK (0.44) JAK2JAK1JAK3TYK2ALK
SCHEMBL14765623 0.87 CHEK1 (0.35) JAK2JAK1JAK3TYK2ALK
SCHEMBL414491 0.85 CHEK1 (0.38) 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 5 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-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 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 (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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 JAK2 2835/4885JAK1 2671/4885JAK3 1897/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 JAK2 2841/4885JAK1 2686/4885JAK3 2023/4885

“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.