SCHEMBL2945641

SCHEMBL2945641

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.67
PIK3CG P48736 2/20 0.67
GSK3B P49841 2/20 0.67
CAMKK2 Q96RR4 2/20 0.67
SYK P43405 3/20 0.62
MAPK10 P53779 1/20 0.61
ABL1 P00519 4/20 0.60
BCR P11274 4/20 0.60
PRKCA P17252 3/20 0.60
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
YES1 P07947 1/20 0.58
LYN P07948 1/20 0.58
FGR P09769 1/20 0.58
EPHA1 P21709 1/20 0.58
EPHA2 P29317 1/20 0.58
EPHA3 P29320 1/20 0.58
EPHB2 P29323 1/20 0.58
CSK P41240 1/20 0.58
TXK P42681 1/20 0.58

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
SCHEMBL2944084 0.91 CAMKK2 (0.77) MAPK8PIK3CGGSK3BCAMKK2SYK
SCHEMBL3012944 0.88 ABL1 (0.70) MAPK8PIK3CGGSK3BCAMKK2SYK
SCHEMBL3747896 0.88 CAMKK2 (0.80) MAPK8PIK3CGGSK3BCAMKK2SYK
SCHEMBL4737537 0.87 SYK (0.67) MAPK8PIK3CGGSK3BCAMKK2SYK
SCHEMBL3758823 0.87 MAPK8 (0.76) MAPK8PIK3CGGSK3BCAMKK2SYK
SCHEMBL4895454 0.86 ABL1 (0.80) MAPK8PIK3CGGSK3BCAMKK2MAPK10
Hydrochloric Acid SCHEMBL27711429 0.85 ABL1 (0.79) MAPK8PIK3CGGSK3BCAMKK2MAPK10
SCHEMBL4903516 0.84 MAPK8 (0.68) MAPK8PIK3CGGSK3BCAMKK2SYK
SCHEMBL6752978 0.84 CDK1 (0.66) MAPK8PIK3CGGSK3BCAMKK2SYK
SCHEMBL2939791 0.84 PIK3CG (0.68) MAPK8PIK3CGGSK3BCAMKK2SYK

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 MAPK8 173/4885PIK3CG 109/4885GSK3B 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.