SCHEMBL5554072

SCHEMBL5554072

NC(=O)c1cc2c(Nc3ccc(Br)cc3)cncc2s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 3/20 0.74
PIM1 P11309 6/20 0.64
PRKACA P17612 6/20 0.64
GSK3A P49840 6/20 0.64
GSK3B P49841 6/20 0.64
CDK5 Q00535 6/20 0.64
RPS6KA3 P51812 5/20 0.64
DAPK3 O43293 5/20 0.64
KDR P35968 5/20 0.64
MAPK8 P45983 5/20 0.64
LIMK1 P53667 5/20 0.64
ROCK1 Q13464 4/20 0.64
CSNK1A1 P48729 3/20 0.64
CLK2 P49760 3/20 0.64
MAP4K2 Q12851 3/20 0.64
CLK4 Q9HAZ1 3/20 0.64
FLT1 P17948 3/20 0.64
CDK8 P49336 3/20 0.64
PRKD3 O94806 2/20 0.64
LTK P29376 1/20 0.64

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
SCHEMBL5550182 0.89 MAP3K8 (0.76) MAP3K8PIM1PRKACAGSK3AGSK3B
SCHEMBL5550743 0.85 MAP3K8 (1.00) MAP3K8PIM1PRKACAGSK3AGSK3B
SCHEMBL5550304 0.82 PIM1 (0.60) MAP3K8PIM1PRKACAGSK3AGSK3B
SCHEMBL7055380 0.78 PIM1 (1.00) MAP3K8PIM1PRKACAGSK3AGSK3B
SCHEMBL5555833 0.76 MAP3K8 (0.76) MAP3K8PIM1PRKACAGSK3AGSK3B
SCHEMBL742713 0.75 ICAM1 (0.67) MAP3K8PIM1PRKACAGSK3AGSK3B
SCHEMBL30568694 0.75 ICAM1 (0.67) MAP3K8PIM1PRKACAGSK3AGSK3B
SCHEMBL7056150 0.75 ICAM1 (1.00) PIM1PRKACAGSK3AGSK3BCDK5
SCHEMBL5550648 0.75 MAP3K8 (1.00) MAP3K8PIM1PRKACAGSK3AGSK3B
SCHEMBL6437155 0.75 ICAM1 (1.00) PIM1PRKACAGSK3AGSK3BCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 EP disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 US disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 MAP3K8 13/4885PIM1 252/4885PRKACA 35/4885

“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.