SCHEMBL4065876

SCHEMBL4065876

O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1n[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.58
MAPK10 P53779 5/20 0.58
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
CTNNB1 P35222 1/20 0.54
WNT3A P56704 1/20 0.54
LMNA P02545 1/20 0.50
MAPK8 P45983 3/20 0.49

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
SCHEMBL1733762 0.83 FLT3 (0.59) FLT3MAPK10ALDH1A1MAPTCTNNB1
SCHEMBL9778596 0.80 MEN1 (0.64) FLT3MAPK10ALDH1A1MAPTLMNA
SCHEMBL21855639 0.76 FLT3 (0.65) FLT3MAPK10ALDH1A1MAPTLMNA
SCHEMBL13779981 0.76 FLT3 (0.69) FLT3MAPK10ALDH1A1MAPTLMNA
SCHEMBL3843612 0.75 POLB (0.71) ALDH1A1MAPTLMNA
SCHEMBL6114106 0.75 FLT3 (0.67) FLT3MAPK10ALDH1A1MAPTLMNA
SCHEMBL28477124 0.74 ALDH1A1 (0.60) FLT3ALDH1A1MAPTLMNA
SCHEMBL1597230 0.74 MAPK10 (0.83) FLT3MAPK10MAPK8
SCHEMBL1597233 0.74 MAPK10 (0.83) FLT3MAPK10MAPK8
SCHEMBL1472881 0.74 CTNNB1 (0.64) FLT3ALDH1A1CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381366-B9 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-10-21 EP disclosed
EP-1381366-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-04-22 EP disclosed
EP-1381366-A4 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-02-16 EP disclosed
US-6825201-B2 ANTIVIRAL ACTIVITY; TREATMENT OF HIV AND AIDS BRISTOL-MYERS SQUIBB COMPANY 2004-11-30 US disclosed
EP-1381366-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-21 EP disclosed
US-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-05-22 US disclosed
WO-2002085301-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-31 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-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives IDO1, IDO2, INMT FLT3 2902/4885MAPK10 4336/4885ALDH1A1 3050/4885

“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.