SCHEMBL7250463

SCHEMBL7250463

Nc1cccc(-c2cncc3sc(C(=O)O)cc23)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 7/20 0.77
GSK3A P49840 11/20 0.76
GSK3B P49841 10/20 0.76
DYRK1A Q13627 10/20 0.76
PIM1 P11309 10/20 0.76
CSNK1D P48730 9/20 0.76
CDK2 P24941 9/20 0.76
AURKB Q96GD4 8/20 0.76
CDK1 P06493 8/20 0.76
CHEK2 O96017 8/20 0.76
MAPK9 P45984 8/20 0.76
DAPK3 O43293 7/20 0.76
CSNK2A1 P68400 7/20 0.76
PLK4 O00444 7/20 0.76
AURKA O14965 7/20 0.76
PLK3 Q9H4B4 6/20 0.76
RPS6KA3 P51812 6/20 0.76
PRKACA P17612 6/20 0.76
SGK2 Q9HBY8 6/20 0.76
PIM2 Q9P1W9 4/20 0.76

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
SCHEMBL5550289 0.90 MAP3K8 (0.77) MAP3K8GSK3AGSK3BDYRK1APIM1
SCHEMBL5555935 0.87 MAP3K8 (1.00) MAP3K8GSK3AGSK3BDYRK1APIM1
SCHEMBL7619323 0.86 GSK3A (1.00) MAP3K8GSK3AGSK3BDYRK1APIM1
SCHEMBL18889209 0.84 SLC9A1 (0.56) MAP3K8GSK3AGSK3BDYRK1APIM1
SCHEMBL19769129 0.80 MAP3K8 (1.00) MAP3K8GSK3AGSK3BDYRK1APIM1
SCHEMBL7056743 0.79 GSK3A (1.00) MAP3K8GSK3AGSK3BDYRK1APIM1
SCHEMBL7929872 0.78 GSK3A (0.69) MAP3K8GSK3AGSK3BDYRK1APIM1
SCHEMBL7797363 0.77 GSK3A (0.77) MAP3K8GSK3AGSK3BDYRK1APIM1
SCHEMBL7934399 0.77 GSK3A (0.78) MAP3K8GSK3AGSK3BDYRK1APIM1
SCHEMBL19769127 0.77 MAP3K8 (0.81) MAP3K8GSK3AGSK3BDYRK1APIM1

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
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 US disclosed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 US disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US disclosed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM MAP3K8 2303/4885GSK3A 3245/4885GSK3B 3044/4885

“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.