SCHEMBL7051866

SCHEMBL7051866

O=C(O)c1cc2c(C=Cc3ccccc3)cncc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 3/20 0.60
AURKA O14965 3/20 0.60
DAPK3 O43293 3/20 0.60
CHEK2 O96017 3/20 0.60
CDK1 P06493 3/20 0.60
PIM1 P11309 3/20 0.60
CDK2 P24941 3/20 0.60
MAPK9 P45984 3/20 0.60
CSNK1D P48730 3/20 0.60
GSK3A P49840 3/20 0.60
GSK3B P49841 3/20 0.60
CSNK2A1 P68400 3/20 0.60
DYRK1A Q13627 3/20 0.60
AURKB Q96GD4 3/20 0.60
PLK3 Q9H4B4 3/20 0.60
PIM2 Q9P1W9 3/20 0.60
PRKACA P17612 2/20 0.60
RPS6KA3 P51812 2/20 0.60
SGK2 Q9HBY8 2/20 0.60
MAP3K8 P41279 6/20 0.55

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
SCHEMBL7051862 1.00 PLK4 (0.60) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL7056216 0.89 PIM1 (0.62) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL7056218 0.89 PIM1 (0.62) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL5550116 0.80 DAPK3 (0.55) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL7619323 0.75 GSK3A (1.00) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL5550715 0.72 MAP3K8 (0.85) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL9431528 0.72 HDAC3 (0.47) CSNK1DGSK3AGSK3BCSNK2A1DYRK1A
SCHEMBL31390717 0.71 PLK4 (0.59) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL24721595 0.71 PLK4 (0.59) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL658705 0.71 ICAM1 (0.73) PLK4AURKADAPK3CHEK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PLK4 4107/4885AURKA 4748/4885DAPK3 1000/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM PLK4 4107/4885AURKA 4748/4885DAPK3 1000/4885

“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.