SCHEMBL416065

SCHEMBL416065

CN1CC(=O)NCCOc2ccc(Cl)cc2Nc2ncc(C#N)c(n2)Nc2cccc(c2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.39
CHEK1 O14757 3/20 0.38
JAK2 O60674 13/20 0.38
CDK2 P24941 5/20 0.38
FLT3 P36888 5/20 0.38
CCNA2 P20248 4/20 0.38
CCNA1 P78396 4/20 0.38
JAK1 P23458 11/20 0.37
TYK2 P29597 10/20 0.37
JAK3 P52333 9/20 0.37
MAP4K1 Q92918 1/20 0.37
ROCK2 O75116 1/20 0.36
CCNK O75909 1/20 0.36
STK10 O94804 1/20 0.36
PRKD3 O94806 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
PRKCB P05771 1/20 0.36
CDK1 P06493 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL416112 0.94 ALK (0.41) ALKCHEK1JAK2CDK2FLT3
SCHEMBL10258744 0.90 ALK (0.43) ALKJAK2CDK2FLT3CCNA2
SCHEMBL413910 0.90 CHEK1 (0.41) ALKCHEK1JAK2CDK2FLT3
SCHEMBL414475 0.87 JAK2 (0.38) ALKCHEK1JAK2JAK1TYK2
SCHEMBL413896 0.87 CHEK1 (0.37) ALKCHEK1JAK2JAK1TYK2
SCHEMBL414507 0.87 JAK2 (0.41) ALKCHEK1JAK2CDK2FLT3
SCHEMBL416068 0.86 JAK2 (0.43) ALKJAK2CDK2FLT3CCNA2
SCHEMBL414488 0.86 JAK2 (0.43) ALKJAK2CDK2FLT3CCNA2
SCHEMBL413911 0.85 CHEK1 (0.39) ALKCHEK1FLT3MAP4K1EGFR
SCHEMBL416119 0.85 ALK (0.40) ALKCHEK1JAK2FLT3JAK1

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 2550/4885CHEK1 4237/4885JAK2 2835/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 ALK 3597/4885CHEK1 4043/4885JAK2 2841/4885

“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.