SCHEMBL415998

SCHEMBL415998

O=C1CC(Cc2ccccc2)NC(=O)COc2ccc(cc2)Nc2cc(ncn2)Nc2cccc(c2)CN1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
MCL1 Q07820 15/20 0.33
ALK Q9UM73 1/20 0.30
GHSR Q92847 1/20 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
SCHEMBL463786 0.77 MCL1 (0.37) JAK2JAK1TYK2JAK3F7
SCHEMBL463834 0.76 JAK2 (0.35) JAK2JAK1TYK2JAK3F7
SCHEMBL10266896 0.74 F7 (0.33) JAK2JAK1TYK2JAK3F7
SCHEMBL415997 0.71 JAK2 (0.37) JAK2JAK1TYK2JAK3F7
SCHEMBL463838 0.68 JAK2 (0.30) JAK2MCL1
SCHEMBL10266905 0.67
SCHEMBL415996 0.67 JAK2 (0.51) JAK2JAK1TYK2JAK3ALK
SCHEMBL415977 0.65 GHSR (0.34) MCL1GHSR
SCHEMBL10258294 0.65 JAK2 (0.49) JAK2JAK1TYK2JAK3F7
SCHEMBL10258731 0.65 GHSR (0.46) JAK2JAK1TYK2GHSR

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 2671/4885TYK2 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.