SCHEMBL2944088

SCHEMBL2944088

Nc1ccc(-c2ccnc(Nc3cccc(O)c3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.64
BCR P11274 3/20 0.64
SRC P12931 2/20 0.64
PLK1 P53350 3/20 0.62
CDK5 Q00535 1/20 0.61
SYK P43405 2/20 0.60
EGFR P00533 1/20 0.58
PRKACA P17612 1/20 0.58
PRKACG P22612 1/20 0.58
PRKACB P22694 1/20 0.58
CAMK2D Q13557 3/20 0.57
CDK4 P11802 2/20 0.57
CDK2 P24941 2/20 0.57
ABL2 P42684 1/20 0.56
PIK3CG P48736 5/20 0.56
MAPK8 P45983 2/20 0.56
GSK3B P49841 2/20 0.56
CAMKK2 Q96RR4 2/20 0.56
PIK3CA P42336 3/20 0.55
PIK3CB P42338 1/20 0.55

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
SCHEMBL2945644 0.88 PLK1 (0.79) ABL1BCRSRCPLK1CDK5
SCHEMBL2944432 0.88 ABL1 (0.82) ABL1BCRSRCPLK1CDK5
SCHEMBL4737537 0.86 SYK (0.67) ABL1BCRSRCPLK1SYK
SCHEMBL14530851 0.86 PLK1 (0.75) ABL1BCRSRCPLK1CDK5
SCHEMBL2944084 0.85 CAMKK2 (0.77) ABL1BCRSRCPLK1SYK
SCHEMBL4733859 0.84 PIK3CG (0.80) PLK1CDK5SYKCDK4CDK2
SCHEMBL4734608 0.82 PIK3CG (0.69) ABL1BCRPLK1SYKCAMK2D
SCHEMBL4736883 0.82 PIK3CG (0.62) ABL1BCRSRCPLK1CDK5
SCHEMBL8084736 0.82 JAK2 (0.76) PLK1SYKIKBKB
SCHEMBL4905928 0.81 PLK1 (0.72) ABL1BCRPLK1CDK5SYK

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 ABL1 6/4885BCR 864/4885SRC 81/4885

“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.