SCHEMBL6324997

SCHEMBL6324997

Nc1ccc2c(=O)c3cccnc3[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PARP1 P09874 4/20 0.45
AURKA O14965 4/20 0.45
MAPT P10636 1/20 0.45
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CHEK1 O14757 1/20 0.41
FEN1 P39748 1/20 0.41
AURKB Q96GD4 2/20 0.41
AXL P30530 1/20 0.40
GSK3B P49841 2/20 0.40
CDK5 Q00535 2/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL1181804 0.87 MAPT (0.49) MEN1KMT2APARP1AURKAMAPT
SCHEMBL31453747 0.80 GAA (0.61) MEN1KMT2APARP1AURKACDK4
SCHEMBL31453748 0.80 GAA (0.61) MEN1KMT2APARP1AURKACDK4
SCHEMBL9709019 0.80 GAA (0.61) MEN1KMT2APARP1AURKACDK4
SCHEMBL31312450 0.78 PARP1 (0.62) PARP1MAPTCDK4CCND1CDK5
SCHEMBL5332607 0.78 PARP1 (0.62) PARP1MAPTCDK4CCND1CDK5
SCHEMBL4958453 0.78 CHEK1 (0.53) MEN1KMT2APARP1AURKAMAPT
SCHEMBL4961010 0.78 CHEK1 (0.53) MEN1KMT2APARP1AURKAMAPT
SCHEMBL6325907 0.77 CDK4 (0.69) MEN1KMT2APARP1CDK4CCND1
SCHEMBL3453607 0.77 PARP1 (0.68) PARP1AURKAADORA2AADORA1FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 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 (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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 MEN1 1004/4885KMT2A 4128/4885PARP1 1114/4885

“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.