SCHEMBL463786

SCHEMBL463786

CC(C)CC1NC(=O)COc2ccc(cc2)Nc2cc(ncn2)Nc2cccc(c2)CNC1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.37
JAK2 O60674 5/20 0.35
JAK1 P23458 5/20 0.35
JAK3 P52333 5/20 0.35
TYK2 P29597 4/20 0.35
F7 P08709 8/20 0.35
F3 P13726 8/20 0.35
KLK1 P06870 6/20 0.31
F10 P00742 4/20 0.31
F11 P03951 3/20 0.31
F2 P00734 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
ALK Q9UM73 3/20 0.31
GHSR Q92847 1/20 0.31

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
SCHEMBL414905 0.86 MCL1 (0.39) MCL1JAK2
SCHEMBL414417 0.85 MCL1 (0.41) MCL1JAK2JAK1JAK3TYK2
SCHEMBL463834 0.85 JAK2 (0.35) MCL1JAK2JAK1JAK3TYK2
SCHEMBL10266896 0.84 F7 (0.33) JAK2JAK1JAK3TYK2F7
SCHEMBL463803 0.83 GHSR (0.39) JAK2JAK1JAK3TYK2F7
SCHEMBL463838 0.82 JAK2 (0.30) MCL1JAK2
SCHEMBL463772 0.80 MCL1 (0.36) MCL1JAK2JAK1JAK3TYK2
SCHEMBL463790 0.80 MCL1 (0.35) MCL1GHSR
SCHEMBL463815 0.79 MCL1 (0.36) MCL1GHSR
SCHEMBL415998 0.77 JAK2 (0.35) MCL1JAK2JAK1JAK3TYK2

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 MCL1 1842/4885JAK2 2835/4885JAK1 2671/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 MCL1 2306/4885JAK2 2841/4885JAK1 2686/4885

“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.