SCHEMBL4743775

SCHEMBL4743775

COC(=O)c1ccc(-n2ccncc2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 4/20 0.49
FGFR1 P11362 1/20 0.48
MAPK14 Q16539 1/20 0.45
F10 P00742 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CYP11B2 P19099 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DYRK1A Q13627 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PTK2 Q05397 1/20 0.43

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
SCHEMBL4748205 0.81 NR4A1 (0.53) HTTGAAMAPTALDH1A1MAPK14
SCHEMBL2639862 0.80 MKNK1 (0.46) MAPK14F10
SCHEMBL26436188 0.77 HTT (0.51) HTTGAAMAPTALDH1A1FGFR1
SCHEMBL327622 0.77 PDE4A (0.54) HTTALDH1A1FGFR1CYP11B2DYRK1A
SCHEMBL6377479 0.76 FGFR1 (0.55) HTTMAPTALDH1A1FGFR1F10
SCHEMBL5433368 0.76 F10 (0.40) HTTGAAMAPTALDH1A1MAPK14
SCHEMBL6536350 0.75 HTT (0.71) HTTMAPTALDH1A1FGFR1CYP11B2
SCHEMBL8266914 0.75 F2 (0.42) HTTMAPTALDH1A1MAPK14F10
SCHEMBL1022965 0.75 HTT (1.00) HTTMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL5431440 0.74 F10 (0.46) MAPTMAPK14F10TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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 (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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD HTT 4850/4885GAA 1503/4885MAPT 4692/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 HTT 4843/4885GAA 983/4885MAPT 4606/4885

“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.