SCHEMBL2945644

SCHEMBL2945644

Nc1cccc(-c2ccnc(Nc3cccc(O)c3)n2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.79
CAMK2D Q13557 1/20 0.73
ABL1 P00519 3/20 0.67
BCR P11274 3/20 0.67
SRC P12931 2/20 0.67
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 2/20 0.63
MEN1 O00255 1/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
KMT2A Q03164 1/20 0.63
CDK5R1 Q15078 1/20 0.63
SYK P43405 4/20 0.59
JAK2 O60674 1/20 0.57
CDK4 P11802 3/20 0.56
CDK2 P24941 3/20 0.56
KDR P35968 1/20 0.53

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
SCHEMBL14530851 0.95 PLK1 (0.75) PLK1CAMK2DABL1BCRSRC
SCHEMBL4737537 0.91 SYK (0.67) PLK1CAMK2DABL1BCRSRC
SCHEMBL823915 0.91 CAMK2D (0.82) PLK1CAMK2DABL1BCRSRC
SCHEMBL4907230 0.88 PLK1 (1.00) PLK1CAMK2DABL1BCRSRC
SCHEMBL2944088 0.88 ABL1 (0.64) PLK1CAMK2DABL1BCRSRC
SCHEMBL27444270 0.87 PLK1 (0.78) PLK1CAMK2DABL1BCRSRC
SCHEMBL12801709 0.85 CAMK2D (1.00) PLK1CAMK2DABL1BCRSRC
SCHEMBL4905928 0.85 PLK1 (0.72) PLK1CAMK2DABL1BCRCDK5
SCHEMBL2945641 0.84 MAPK8 (0.67) PLK1ABL1BCRSRCSYK
SCHEMBL12801287 0.84 PLK1 (0.82) PLK1CAMK2DABL1BCRSRC

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 PLK1 150/4885CAMK2D 442/4885ABL1 6/4885

“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.