SCHEMBL463856

SCHEMBL463856

CN1CCC(=O)NCCCCOc2ccc(cc2)Nc2cc(ncn2)Nc2cccc(c2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.38
CDK2 P24941 12/20 0.38
FLT3 P36888 12/20 0.38
JAK1 P23458 9/20 0.38
CCNA2 P20248 8/20 0.38
CCNA1 P78396 8/20 0.38
ROCK2 O75116 1/20 0.38
CCNK O75909 1/20 0.38
STK10 O94804 1/20 0.38
PRKD3 O94806 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
PRKCB P05771 1/20 0.38
CDK1 P06493 1/20 0.38
RET P07949 1/20 0.38
CYP2D6 P10635 1/20 0.38
CCNB1 P14635 1/20 0.38
FER P16591 1/20 0.38
PRKCA P17252 1/20 0.38
ERCC2 P18074 1/20 0.38

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
SCHEMBL10290232 0.97 JAK2 (0.39) JAK2CDK2FLT3JAK1CCNA2
SCHEMBL463842 0.95 JAK2 (0.37) JAK2CDK2FLT3JAK1CCNA2
SCHEMBL463778 0.94 JAK2 (0.42) JAK2CDK2FLT3JAK1CCNA2
SCHEMBL463776 0.91 JAK2 (0.43) JAK2CDK2FLT3JAK1CCNA2
SCHEMBL463858 0.87 F7 (0.34) JAK2CDK2FLT3JAK1CCNA2
SCHEMBL10266930 0.87 JAK2 (0.34) JAK2CDK2FLT3JAK1CCNA2
SCHEMBL10258183 0.86 EGFR (0.35) JAK2CDK2FLT3JAK1CCNA2
SCHEMBL463806 0.86 JAK2 (0.34) JAK2CDK2FLT3JAK1CCNA2
SCHEMBL463819 0.86 JAK2 (0.34) JAK2CDK2FLT3JAK1CCNA2
SCHEMBL463854 0.83 JAK2 (0.40) JAK2CDK2FLT3JAK1CCNA2

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-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 2835/4885CDK2 882/4885FLT3 2149/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 JAK2 2841/4885CDK2 901/4885FLT3 2372/4885

“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.