SCHEMBL2944431

SCHEMBL2944431

NC(=O)c1ccc(-c2ccnc(Nc3cccc(N)c3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 6/20 0.77
MAPK8 P45983 4/20 0.77
GSK3B P49841 3/20 0.77
PIK3CG P48736 3/20 0.77
ABL1 P00519 3/20 0.70
BCR P11274 3/20 0.70
SRC P12931 2/20 0.70
MAPK10 P53779 1/20 0.68
EGFR P00533 1/20 0.67
PRKACA P17612 1/20 0.67
PRKACG P22612 1/20 0.67
PRKACB P22694 1/20 0.67
CDK5 Q00535 1/20 0.66
CAMK2D Q13557 5/20 0.61
IKBKB O14920 1/20 0.60
SYK P43405 1/20 0.58
ABL2 P42684 1/20 0.58
PLK1 P53350 1/20 0.57
JAK2 O60674 1/20 0.56

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
SCHEMBL3012944 0.91 ABL1 (0.70) CAMKK2MAPK8GSK3BPIK3CGABL1
SCHEMBL2944084 0.88 CAMKK2 (0.77) CAMKK2MAPK8GSK3BPIK3CGABL1
SCHEMBL2944432 0.86 ABL1 (0.82) CAMKK2MAPK8GSK3BPIK3CGABL1
SCHEMBL4381980 0.84 JAK2 (0.74) ABL1BCRSRCEGFRPRKACA
SCHEMBL4386919 0.83 ABL1 (0.82) CAMKK2MAPK8GSK3BPIK3CGABL1
SCHEMBL3747896 0.83 CAMKK2 (0.80) CAMKK2MAPK8GSK3BPIK3CGABL1
SCHEMBL1789 0.82 ABL1 (1.00) CAMKK2MAPK8GSK3BPIK3CGABL1
SCHEMBL823915 0.82 CAMK2D (0.82) CAMKK2MAPK8GSK3BPIK3CGABL1
SCHEMBL4903516 0.82 MAPK8 (0.68) CAMKK2MAPK8GSK3BPIK3CGABL1
SCHEMBL8246523 0.81 MAPK8 (1.00) CAMKK2MAPK8GSK3BPIK3CGABL1

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
EP-2172460-A1 Compositions useful as inhibitors of JAK and other protein kinases Vertex Pharmaceuticals Incorporated (US) 2010-04-07 EP disclosed
EP-1562911-B1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-01-06 EP disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
EP-1562911-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 EP disclosed
US-20040147507-A1 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-07-29 US disclosed
WO-2004041789-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 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 (1 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-20040147507-A1 Compositions useful as inhibitors of JAK and other protein kinases JAK1, JAK2, JAK3 CAMKK2 327/4885MAPK8 173/4885GSK3B 521/4885

“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.