SCHEMBL3012944

SCHEMBL3012944

NC(=O)c1cccc(-c2ccnc(Nc3cccc(N)c3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.70
BCR P11274 7/20 0.70
SRC P12931 5/20 0.70
EGFR P00533 1/20 0.70
PRKACA P17612 1/20 0.70
PRKACG P22612 1/20 0.70
PRKACB P22694 1/20 0.70
MAPK8 P45983 3/20 0.67
PIK3CG P48736 2/20 0.67
GSK3B P49841 2/20 0.67
CAMKK2 Q96RR4 2/20 0.67
CAMK2D Q13557 1/20 0.65
PLK1 P53350 1/20 0.63
SYK P43405 1/20 0.62
MAPK10 P53779 1/20 0.61
PRKCA P17252 3/20 0.60
CDK5 Q00535 2/20 0.60
ABL2 P42684 1/20 0.58
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57

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
SCHEMBL2944431 0.91 CAMKK2 (0.77) ABL1BCRSRCEGFRPRKACA
SCHEMBL2945641 0.88 MAPK8 (0.67) ABL1BCRSRCMAPK8PIK3CG
SCHEMBL3747896 0.88 CAMKK2 (0.80) ABL1BCRSRCMAPK8PIK3CG
SCHEMBL823915 0.87 CAMK2D (0.82) ABL1BCRSRCEGFRPRKACA
SCHEMBL3758823 0.87 MAPK8 (0.76) ABL1BCRSRCEGFRMAPK8
SCHEMBL25337094 0.87 ABL1 (0.75) ABL1BCRSRCEGFRPRKACA
SCHEMBL31118910 0.87 ABL1 (0.75) ABL1BCRSRCEGFRPRKACA
SCHEMBL4895454 0.86 ABL1 (0.80) ABL1BCRSRCEGFRPRKACA
Hydrochloric Acid SCHEMBL27711429 0.85 ABL1 (0.79) ABL1BCRSRCEGFRPRKACA
SCHEMBL4903516 0.84 MAPK8 (0.68) ABL1BCRSRCMAPK8PIK3CG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.