SCHEMBL414848

SCHEMBL414848

O=C1NCc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)C(=O)N2CC(O)CC12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
F7 P08709 8/20 0.32
F3 P13726 8/20 0.32
PLK4 O00444 1/20 0.32
KLK1 P06870 5/20 0.31
PROC P04070 1/20 0.31
F10 P00742 4/20 0.31
F11 P03951 3/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
FLT3 P36888 1/20 0.30
CCNA1 P78396 1/20 0.30
F2 P00734 2/20 0.30

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
SCHEMBL415813 0.72 PLK4 (0.49) JAK2JAK1JAK3F7F3
SCHEMBL10258294 0.71 JAK2 (0.49) JAK2JAK1JAK3F7F3
SCHEMBL415985 0.70 PLK4 (0.38) JAK2JAK1JAK3F7F3
SCHEMBL10257972 0.69 JAK2 (0.41) JAK2JAK1JAK3F7F3
SCHEMBL15338776 0.67 JAK2 (0.44) JAK2JAK1JAK3CCNA2CDK2
SCHEMBL414868 0.66 FLT3 (0.40) JAK2JAK1JAK3CCNA2CDK2
SCHEMBL10258190 0.66 FLT3 (0.40) JAK2JAK1JAK3CCNA2CDK2
SCHEMBL463803 0.65 GHSR (0.39) JAK2JAK1JAK3F7F3
SCHEMBL12921777 0.65 PLK4 (0.52) JAK2JAK1JAK3PLK4CCNA2
SCHEMBL10258662 0.65 PLK4 (0.45) JAK2JAK1JAK3F7F3

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 JAK2 2835/4885JAK1 2671/4885JAK3 1897/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 JAK2 2841/4885JAK1 2686/4885JAK3 2023/4885

“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.