SCHEMBL5554048

SCHEMBL5554048

O=C(CCl)NNC(=O)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 6/20 0.70
ICAM1 P05362 4/20 0.46
SELE P16581 4/20 0.46
VCAM1 P19320 2/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLK4 O00444 3/20 0.43
AURKA O14965 3/20 0.43
DAPK3 O43293 3/20 0.43
CHEK2 O96017 3/20 0.43
CDK1 P06493 3/20 0.43
PIM1 P11309 3/20 0.43
CDK2 P24941 3/20 0.43
MAPK9 P45984 3/20 0.43
CSNK1D P48730 3/20 0.43
GSK3A P49840 3/20 0.43
GSK3B P49841 3/20 0.43

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
SCHEMBL5555827 0.85 MAP3K8 (0.79) MAP3K8ICAM1SELEVCAM1PLK4
SCHEMBL5550267 0.83 MAP3K8 (0.82) MAP3K8ICAM1SELEVCAM1PLK4
SCHEMBL5550648 0.83 MAP3K8 (1.00) MAP3K8ICAM1SELEVCAM1PLK4
SCHEMBL5553712 0.82 MAP3K8 (0.98) MAP3K8ICAM1SELEVCAM1PLK4
SCHEMBL5550743 0.81 MAP3K8 (1.00) MAP3K8ICAM1SELEVCAM1PLK4
SCHEMBL5550720 0.80 MAP3K8 (0.70) MAP3K8ICAM1SELEVCAM1PLK4
SCHEMBL5554857 0.80 MAP3K8 (0.70) MAP3K8ICAM1SELEVCAM1PLK4
SCHEMBL5554868 0.80 MAP3K8 (0.70) MAP3K8ICAM1SELEVCAM1PLK4
Lithium Ion SCHEMBL5553717 0.80 MAP3K8 (0.80) MAP3K8ICAM1SELEVCAM1PLK4
SCHEMBL5555006 0.79 MAP3K8 (0.83) MAP3K8ICAM1SELEVCAM1ALDH1A1

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 13/4885ICAM1 4375/4885SELE 4256/4885

“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.