SCHEMBL5553871

SCHEMBL5553871

Nc1ncc(-c2cccc(-c3ccccc3)c2)c2sc(C(=O)O)cc12

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 6/20 0.86
MAP2K1 Q02750 2/20 0.72
MAPK1 P28482 2/20 0.72
JAK3 P52333 2/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
PIM1 P11309 4/20 0.46
MAPK9 P45984 4/20 0.46
GSK3A P49840 4/20 0.46
GSK3B P49841 4/20 0.46
AURKB Q96GD4 4/20 0.46
CHEK2 O96017 4/20 0.46
PLK4 O00444 3/20 0.46
AURKA O14965 3/20 0.46
DAPK3 O43293 3/20 0.46
CDK1 P06493 3/20 0.46
CDK2 P24941 3/20 0.46
CSNK1D P48730 3/20 0.46
CSNK2A1 P68400 3/20 0.46

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
SCHEMBL5555891 0.84 MAP3K8 (0.76) MAP3K8MAP2K1MAPK1JAK3PIM1
SCHEMBL5550771 0.82 MAP3K8 (0.81) MAP3K8MAP2K1MAPK1JAK3JAK2
SCHEMBL5550318 0.75 MAP3K8 (0.53) MAP3K8MAP2K1MAPK1JAK3JAK2
SCHEMBL5549992 0.73 MAP3K8 (0.58) MAP3K8MAP2K1MAPK1PIM1MAPK9
SCHEMBL5554165 0.73 MAP3K8 (0.60) MAP3K8MAP2K1MAPK1PIM1MAPK9
SCHEMBL5555935 0.73 MAP3K8 (1.00) MAP3K8MAP2K1MAPK1JAK3PIM1
SCHEMBL18889226 0.72 MAP3K8 (0.71) MAP3K8PIM1MAPK9GSK3AGSK3B
SCHEMBL27738181 0.68 RAB9A (0.58) MAP3K8MAP2K1MAPK1ALDH1A1NPC1
SCHEMBL5555951 0.68 MAP3K8 (0.51) MAP3K8MAP2K1MAPK1PIM1MAPK9
SCHEMBL5550688 0.68 BRAF (0.49) MAP3K8MAP2K1MAPK1AURKBKDR

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 13/4885MAP2K1 216/4885MAPK1 39/4885

“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.