SCHEMBL5653218

SCHEMBL5653218

O=C(NCCO)Nc1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
PDE10A Q9Y233 1/20 0.33
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
TSHR P16473 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CGAS Q8N884 1/20 0.31
TACR1 P25103 1/20 0.31
CASR P41180 1/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL5653932 0.88 ABL1 (0.38) ALDH1A1LMNAMAPTTACR1ABL1
SCHEMBL5652117 0.84 CYP1A2 (0.41) ALDH1A1LMNAMAPTKMT2AFABP4
SCHEMBL2779556 0.84 ABL1 (0.38) PIK3R1PIK3CAMTORALDH1A1LMNA
SCHEMBL5650652 0.84 ADORA3 (0.38) ALDH1A1LMNAMAPTKMT2AFABP4
SCHEMBL5648743 0.82 IKBKB (0.40) CHEK1ALDH1A1LMNAMAPTKMT2A
SCHEMBL5654415 0.77 HIF1A (0.38) ALDH1A1LMNAMAPTKMT2ATSHR
SCHEMBL5649021 0.74 KMT2A (0.39) ALDH1A1LMNAMAPTKMT2ATSHR
SCHEMBL5650705 0.73 KMT2A (0.43) ALDH1A1LMNAMAPTKMT2ATSHR
SCHEMBL5648185 0.73 MAT2A (0.38) ALDH1A1LMNAMAPTKMT2A
SCHEMBL5649437 0.73 HPGD (0.44) ALDH1A1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176215-B2 Bicyclic oxopyridine and oxopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2007-02-13 US disclosed
US-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives UCB PHARMA S.A. (BE) 2004-12-16 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-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives MAPK1, ALK, NAT1 CHEK1 390/4885PIK3R1 1288/4885PIK3CA 1771/4885

“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.