SCHEMBL3758774

SCHEMBL3758774

Brc1ccc(-c2ccnc(Nc3ccc(-n4ccnn4)cc3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.71
MAPK8 P45983 2/20 0.71
PIK3CG P48736 7/20 0.62
PIK3CA P42336 6/20 0.62
PIK3CB P42338 6/20 0.62
JAK2 O60674 9/20 0.47
JAK3 P52333 3/20 0.46
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
HDAC3 O15379 1/20 0.45
NCOR1 O75376 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL3755971 0.86 MAPK10 (0.68) MAPK10MAPK8PIK3CGPIK3CAPIK3CB
SCHEMBL13588445 0.83 MAPK8 (0.82) MAPK10MAPK8JAK2JAK3JAK1
SCHEMBL3754658 0.83 MAPK8 (0.81) MAPK10MAPK8JAK2JAK3
SCHEMBL3759150 0.83 MAPK10 (0.65) MAPK10MAPK8PIK3CGPIK3CAPIK3CB
SCHEMBL3759154 0.82 MAPK10 (0.78) MAPK10MAPK8JAK2JAK3
SCHEMBL3753808 0.81 MAPK10 (0.70) MAPK10MAPK8PIK3CGJAK2JAK3
SCHEMBL3753229 0.79 CLK1 (0.69) MAPK10MAPK8JAK2
SCHEMBL16321273 0.76 NOTUM (0.58) MAPK10MAPK8
SCHEMBL3756383 0.76 MAPK8 (0.69) MAPK10MAPK8PIK3CGPIK3CAJAK2
SCHEMBL3750806 0.76 MAPK8 (0.82) MAPK10MAPK8JAK2JAK3JAK1

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-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO 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 (3 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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPK10 56/4885MAPK8 33/4885PIK3CG 687/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPK10 56/4885MAPK8 33/4885PIK3CG 687/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPK10 56/4885MAPK8 33/4885PIK3CG 687/4885

“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.