SCHEMBL416112

SCHEMBL416112

CN1CCC(=O)NCCOc2ccc(Cl)cc2Nc2ncc(C#N)c(n2)Nc2cccc(c2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.41
JAK2 O60674 9/20 0.38
JAK1 P23458 8/20 0.38
TYK2 P29597 8/20 0.38
JAK3 P52333 7/20 0.38
MAP4K1 Q92918 1/20 0.38
CHEK1 O14757 5/20 0.37
CDK2 P24941 3/20 0.37
FLT3 P36888 3/20 0.37
CCNA2 P20248 2/20 0.37
CCNA1 P78396 2/20 0.37
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
SCHEMBL413910 0.96 CHEK1 (0.41) ALKJAK2JAK1TYK2JAK3
SCHEMBL416065 0.94 ALK (0.39) ALKJAK2JAK1TYK2JAK3
SCHEMBL414507 0.93 JAK2 (0.41) ALKJAK2JAK1TYK2JAK3
SCHEMBL414475 0.92 JAK2 (0.38) ALKJAK2JAK1TYK2JAK3
SCHEMBL413911 0.92 CHEK1 (0.39) ALKMAP4K1CHEK1FLT3STK3
SCHEMBL413896 0.90 CHEK1 (0.37) ALKJAK2JAK1TYK2JAK3
SCHEMBL413912 0.89 JAK2 (0.39) ALKJAK2JAK1TYK2JAK3
SCHEMBL463816 0.88 ALK (0.37) ALKJAK2JAK1TYK2JAK3
SCHEMBL416119 0.88 ALK (0.40) ALKJAK2JAK1TYK2JAK3
SCHEMBL463817 0.88 CHEK1 (0.41) ALKJAK2JAK1TYK2JAK3

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 8 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-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-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
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 ALK 2550/4885JAK2 2835/4885JAK1 2671/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 ALK 3597/4885JAK2 2841/4885JAK1 2686/4885

“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.