SCHEMBL4880946

SCHEMBL4880946

CCOC(=O)N1Cc2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
HSP90AA1 P07900 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MDM2 Q00987 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CREBBP Q92793 1/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.39
NAMPT P43490 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL29863239 0.77 NAMPT (0.40) BRD4MAPK1ALDH1A1TSHRKMT2A
SCHEMBL5822563 0.76 BRD4 (0.42) BRD4MAPK1ALDH1A1MAPTMEN1
SCHEMBL30125059 0.76 BRD4 (0.42) BRD4MAPK1ALDH1A1MAPTMEN1
SCHEMBL8561673 0.76 MAPK1 (0.51) BRD4MAPK1ALDH1A1MAPTTSHR
SCHEMBL29863425 0.76 BRD4 (0.39) BRD4MAPK1MAPTTSHRMEN1
SCHEMBL6677698 0.73 NOTUM (0.57) MAPK1ALDH1A1MAPTTSHRMEN1
SCHEMBL5195909 0.68 BRD4 (0.42) BRD4ALDH1A1TSHRMEN1KMT2A
SCHEMBL27881241 0.67 BRD4 (0.43) BRD4MAPK1ALDH1A1MAPTRAB9A
SCHEMBL1295044 0.67 ALDH1A1 (0.64) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL16268868 0.67 ALDH1A1 (0.64) MAPK1ALDH1A1MAPTTSHRMEN1

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-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-13 US disclosed
US-7317027-B2 1-substituted 2-carboxamide derivatives of fused ring pyrroles, especially pyrrolo[2,3-b]pyridines and pyrrolo[3,2-b]pyridines, e.g., 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
US-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND (DE) 2005-01-13 US disclosed
EP-1479680-A1 Azaindole derivatives as Factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP 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-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors F12, F5, F11 BRD4 1874/4885MAPK1 3860/4885ALDH1A1 2292/4885
US-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors F12, F5, F11 BRD4 1202/4885MAPK1 3751/4885ALDH1A1 2202/4885

“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.