SCHEMBL463812

SCHEMBL463812

CCN1CCC(=O)NCCCCOc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.38
JAK1 P23458 8/20 0.38
TYK2 P29597 7/20 0.38
JAK3 P52333 7/20 0.38
FLT3 P36888 11/20 0.38
CCNA2 P20248 8/20 0.38
CDK2 P24941 8/20 0.38
CCNA1 P78396 8/20 0.38
ALK Q9UM73 4/20 0.36
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
CYP2D6 P10635 1/20 0.36
CCNB1 P14635 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
SCHEMBL10266947 0.97 JAK2 (0.39) JAK2JAK1TYK2JAK3FLT3
SCHEMBL10258716 0.93 JAK2 (0.38) JAK2JAK1TYK2JAK3FLT3
SCHEMBL463811 0.90 JAK2 (0.38) JAK2JAK1TYK2JAK3FLT3
SCHEMBL463806 0.90 JAK2 (0.34) JAK2JAK1TYK2JAK3FLT3
SCHEMBL463819 0.89 JAK2 (0.34) JAK2JAK1TYK2JAK3FLT3
SCHEMBL463778 0.89 JAK2 (0.42) JAK2JAK1TYK2JAK3FLT3
SCHEMBL463813 0.88 EGFR (0.34) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL10258397 0.87 JAK2 (0.38) JAK2JAK1TYK2JAK3FLT3
SCHEMBL463854 0.87 JAK2 (0.40) JAK2JAK1TYK2JAK3FLT3
SCHEMBL463776 0.86 JAK2 (0.43) JAK2JAK1TYK2JAK3FLT3

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 6 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
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 2671/4885TYK2 1597/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 JAK2 2841/4885JAK1 2686/4885TYK2 1451/4885

“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.