SCHEMBL463858

SCHEMBL463858

CN1Cc2cccc(c2)Nc2cc(ncn2)Nc2ccc(cc2)OCCCCNC(=O)CCN2CCC1CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
JAK2 O60674 8/20 0.32
CCNA2 P20248 4/20 0.32
CDK2 P24941 4/20 0.32
FLT3 P36888 4/20 0.32
CCNA1 P78396 4/20 0.32
JAK1 P23458 5/20 0.32
TYK2 P29597 4/20 0.32
JAK3 P52333 4/20 0.32
IRAK1 P51617 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ROCK2 O75116 1/20 0.32
CCNK O75909 1/20 0.32
STK10 O94804 1/20 0.32
PRKD3 O94806 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
PRKCB P05771 1/20 0.32
CDK1 P06493 1/20 0.32

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
SCHEMBL463848 0.95 JAK2 (0.36) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL10258314 0.94 JAK2 (0.33) F7F3JAK2CCNA2CDK2
SCHEMBL463846 0.89 JAK2 (0.37) F7F3JAK2CCNA2CDK2
SCHEMBL463861 0.88 IRAK1 (0.33) IRAK1IRAK4EGFR
SCHEMBL463856 0.87 JAK2 (0.38) F7F3JAK2CCNA2CDK2
SCHEMBL10290232 0.84 JAK2 (0.39) F7F3JAK2CCNA2CDK2
SCHEMBL463842 0.84 JAK2 (0.37) F7F3JAK2CCNA2CDK2
SCHEMBL463854 0.83 JAK2 (0.40) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL463847 0.81 JAK2 (0.33) F7F3JAK2CCNA2CDK2
SCHEMBL10266930 0.81 JAK2 (0.34) F7F3JAK2CCNA2CDK2

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-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 F7 1408/4885F3 1625/4885JAK2 2835/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 F7 1672/4885F3 2157/4885JAK2 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.